SCHEMBL2014395

SCHEMBL2014395

CCCc1cccc(CCC)c1N1CCN(c2c(CCC)cccc2CCC)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
DHFR P00374 1/20 0.38
HTR2C P28335 5/20 0.38
HTR2A P28223 4/20 0.38
HTR1A P08908 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
CHRNA7 P36544 1/20 0.37
DAO P14920 1/20 0.36
HTR2B P41595 3/20 0.36
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL25733576 0.79
SCHEMBL16167311 0.76 DAO (0.36) HTR2CHTR2ADAOHTR2B
SCHEMBL19733358 0.75 DRD2 (0.47) DRD2SIGMAR1DHFRHTR1ACHRNA7
SCHEMBL254055 0.74 DAO (0.35) DRD2HTR2CHTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL929583 0.74 DAO (0.35) HTR2CHTR2ADAOHTR2B
SCHEMBL25720743 0.74 HTR2C (0.44) DRD2HTR2CHTR2AHTR1ADRD4
SCHEMBL29488434 0.72 ADRA2B (0.44) HTR1ADAOLIPG
SCHEMBL142479 0.72 ADRA2B (0.44) HTR1ADAOLIPG
SCHEMBL13061367 0.72 NCF1 (0.59) DRD2HTR2CHTR2AHTR1ADRD4
SCHEMBL21593838 0.71 NCF1 (0.50) DRD2HTR2CHTR2AHTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120129654-A Synthesis method of covalent bonding lattice 卡斯西部储备大学 2025-06-10 CN disclosed
EP-3204441-A1 WATER SOLUBLE POLYCARBONATES FOR MEDICAL APPLICATIONS International Business Machines Corporation (US) 2017-08-16 EP disclosed
WO-2016055880-A1 WATER SOLUBLE POLYCARBONATES FOR MEDICAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-04-14 WO disclosed
EP-2983692-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES International Business Machines Corporation (US) 2016-02-17 EP disclosed
EP-2984117-A1 VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS International Business Machines Corporation (US) 2016-02-17 EP disclosed
EP-2983679-A2 ANTIMICROBIAL CATIONIC POLYCARBONATES International Business Machines Corporation (US) 2016-02-17 EP disclosed
WO-2014168762-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-10-16 WO disclosed
WO-2014168772-A1 VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-10-16 WO disclosed
WO-2014168771-A2 ANTIMICROBIAL CATIONIC POLYCARBONATES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-10-16 WO disclosed
EP-2516502-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO International Business Machines Corporation (US) 2012-10-31 EP disclosed
WO-2012126115-A1 STAR POLYMER NANOSHELLS AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-09-27 WO disclosed
WO-2011135046-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT PENTAFLUOROPHENYL CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-11-03 WO disclosed
WO-2011078803-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-06-30 WO disclosed