SCHEMBL7979105

SCHEMBL7979105

COc1ccccc1N1CCN(CCCCN2C(=O)CSC2C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.64
HTR1A P08908 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ADRA1D P25100 4/20 0.60
ADRA1A P35348 4/20 0.60
ADRA1B P35368 4/20 0.60
ALDH1A1 P00352 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
ALOX12 P18054 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
DRD2 P14416 2/20 0.59
DRD3 P35462 2/20 0.59
DRD5 P21918 1/20 0.59
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL7996612 0.78 HTR1A (0.60) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL6526368 0.78 DRD2 (0.85) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL6017582 0.78 HTR7 (1.00) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL7990544 0.78 HTR7 (0.66) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL11175537 0.78 HTR7 (0.73) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL7979085 0.77 HTR1A (0.51) HTR7HTR1ADRD2DRD3DRD5
Hydrochloric Acid SCHEMBL6864309 0.77 HTR7 (0.97) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL5592295 0.77 HTR7 (0.97) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL7989883 0.77 HTR1A (0.60) HTR7HTR1AMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7978759 0.76 HTR1A (0.50) HTR7HTR1ADRD2DRD3DRD5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US claimed
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5371087-A Antipsychotic, analgesics, anticonvulsant and anxiolytic agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
EP-0316723-B1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-30 EP disclosed
US-5136037-A 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US disclosed
EP-0316723-A1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-05-24 EP disclosed