SCHEMBL8534116

SCHEMBL8534116

CCCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
DRD3 P35462 1/20 0.44
CYP3A4 P08684 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
SLC9A1 P19634 1/20 0.44

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
SCHEMBL8538842 0.86 LSS (0.48) LSSHTR2AHTR2CHTR2BGPR119
SCHEMBL9523780 0.85 LSS (0.55) LSSHTR2AHTR2CHTR2BMAPK1
SCHEMBL8540635 0.85 GPR119 (0.48) LSSHTR2AHTR2CHTR2BCYP2D6
SCHEMBL8534755 0.85 LSS (0.46) LSSHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL8534752 0.84 LSS (0.46) LSSHTR2AHTR2CHTR2BCYP2D6
SCHEMBL8534514 0.84 HTR2A (0.51) LSSHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL9589824 0.83 EPHX2 (0.46) LSSHTR2AHTR2CHTR2BGPR119
SCHEMBL8540462 0.82 GPR119 (0.45) LSSHTR2AHTR2CHTR2BALDH1A1
SCHEMBL8539476 0.81 QPCTL (0.44) LSSHTR2AHTR2CHTR2BGPR119
SCHEMBL8539477 0.81 QPCTL (0.44) LSSHTR2AHTR2CHTR2BGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537201-B1 1-[4-(IMIDAZOL-1-YL)BENZOYL]PIPERIDINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS SCHERING AG (DE) 1998-11-18 EP claimed
EP-0537201-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-21 EP claimed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US claimed
WO-1991019709-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-26 WO claimed
EP-0537201-B1 1-[4-(IMIDAZOL-1-YL)BENZOYL]PIPERIDINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS SCHERING AG (DE) 1998-11-18 EP disclosed
EP-0537201-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-21 EP disclosed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US disclosed
WO-1991019709-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-26 WO disclosed