SCHEMBL814319

SCHEMBL814319

CCCN(CCC)c1ccccc1Cc1ccccc1N(CCC)CCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
AR P10275 1/20 0.40
CRHR1 P34998 9/20 0.36
ALDH3A1 P30838 2/20 0.36
ALDH1A3 P47895 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.35
HSPA5 P11021 1/20 0.34
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27980972 0.89 HSPA5 (0.55) HTR1AHSPA5
SCHEMBL30462984 0.87 HTR1A (0.40) HTR1AARCRHR1ALDH3A1ALDH1A3
Bromide SCHEMBL10963850 0.87 DRD2 (0.46) TP53DRD3DRD2DRD1
SCHEMBL1534143 0.85 HTR1A (0.43) HTR1ACRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL7150417 0.84 TP53 (0.41) HTR1ACRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL11724744 0.83 HTR1A (0.38) HTR1AARCRHR1ALDH3A1ALDH1A3
SCHEMBL1241839 0.82 AR (0.53) ARALDH1A3ALDH1A1HSPA5DRD3
SCHEMBL11724558 0.82 HTR1A (0.37) HTR1AARCRHR1ALDH3A1ALDH1A3
SCHEMBL18600300 0.80 ELANE (0.41) HTR1ACRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL11788588 0.79 MEN1 (0.45) HTR1ACRHR1ALDH3A1ALDH1A3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602079-A Urethane elastomers prepared using a prepolymer prepared from a polyester which reacts with a chain-extending agent and/or a saturated polyester resin in which at least one of the polyesters is prepared from a dimer and/or trimer fatty acid WITCO CHEMICAL CORPORATION (US) 1986-07-22 US claimed
EP-4688900-A1 POLYURETHANE BUILDING BLOCK CONTAINING AMIDE AND URETHANE BONDS Cargill, Incorporated (US) 2026-02-11 EP disclosed
US-20250122324-A1 REVERSIBLE POLYOL AND PRODUCTS CONTAINING THE SAME CARGILL BIOINDUSTRIAL UK LIMITED (GB) 2025-04-17 US disclosed
EP-4504812-A1 METHODS FOR CONVERTING SOLID POLYURETHANE ARTICLES BASF SE (DE) 2025-02-12 EP disclosed
EP-4228544-B1 METHODS OF CONTROLLING HAZE IN ORTHODONTIC APPLIANCES INCLUDING SEMI-CRYSTALLINE POLYMERS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-11-27 EP disclosed
US-20240336759-A1 Isocyanate-Functional Polymer Components and Polyurethane Articles Formed From Recycled Polyurethane Articles and Associated Methods for Forming Same BASF SE (DE) 2024-10-10 US disclosed
WO-2024206035-A1 POLYURETHANE BUILDING BLOCK CONTAINING AMIDE AND URETHANE BONDS CARGILL, INCORPORATED (US) 2024-10-03 WO disclosed
US-12054589-B2 Isocyanate-functional polymer components and polyurethane articles formed from recycled polyurethane articles and associated methods for forming same BASF CORPORATION 2024-08-06 US disclosed
EP-4171434-B1 TOOTH REPOSITIONING SYSTEM SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-07-24 EP disclosed
EP-4373869-A1 REVERSIBLE POLYOL AND PRODUCTS CONTAINING THE SAME Cargill Bioindustrial UK Limited (GB) 2024-05-29 EP disclosed
WO-2003082944-A1 POLYURETHANE UNICHEMA CHEMIE B.V. (NL) 2003-10-09 WO disclosed
WO-2003070801-A1 POLYURETHANE FOAM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2003-08-28 WO disclosed
EP-0171536-B1 P-TMXDI POLYURETHANE ELASTOMERS WITH GOOD COMPRESSION SET PROPERTIES AMERICAN CYANAMID COMPANY (US) 1992-02-12 EP disclosed
US-4812524-A Polyurea/polyurethane adhesive compositions PONY INDUSTRIES, INC. (US) 1989-03-14 US disclosed
US-4721754-A INTERMEDIATE FOR POLYUREA OR POLYURETHANE PONY INDUSTRIES, INC., A CORP. OF DE 1988-01-26 US disclosed
US-4602079-A Urethane elastomers prepared using a prepolymer prepared from a polyester which reacts with a chain-extending agent and/or a saturated polyester resin in which at least one of the polyesters is prepared from a dimer and/or trimer fatty acid WITCO CHEMICAL CORPORATION (US) 1986-07-22 US disclosed
EP-0171536-A1 P-TMXDI polyurethane elastomers with good compression set properties AMERICAN CYANAMID COMPANY (US) 1986-02-19 EP disclosed
US-4570270-A INSERTION OF PROSTHETICS POLY VI, INC., A CA CORP. 1986-02-18 US disclosed
US-4546167-A WITH DIAMINE CURING AGENT AMERICAN CYANAMID COMPANY (US) 1985-10-08 US disclosed
US-4477604-A CONTAINING REINFORCING GRAFT COPOLYMERS POLYOLS AND POLYETHERSILOXANE STABILIZER POLY VI, INC., A CA CORP. 1984-10-16 US disclosed