SCHEMBL8535599

SCHEMBL8535599

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.50
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CYP3A4 P08684 2/20 0.45
BAZ2B Q9UIF8 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
SLC9A1 P19634 1/20 0.45
F10 P00742 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
ADH5 P11766 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40

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
SCHEMBL8536395 0.95 LSS (0.46) LSSHTR2AHTR2CHTR2BCYP3A4
SCHEMBL8536398 0.85 LSS (0.46) LSSHTR2AHTR2CHTR2BCYP3A4
SCHEMBL8534514 0.82 HTR2A (0.51) LSSHTR2AHTR2CHTR2BCYP3A4
SCHEMBL8534724 0.80 LSS (0.48) LSSHTR2AHTR2CHTR2BCYP3A4
SCHEMBL8534116 0.79 LSS (0.49) LSSHTR2AHTR2CHTR2BCYP3A4
SCHEMBL8538842 0.77 LSS (0.48) LSSHTR2AHTR2CHTR2BCYP3A4
SCHEMBL8536934 0.77 HTR2A (0.60) LSSHTR2AHTR2CHTR2BCYP3A4
SCHEMBL8537652 0.77 CYP1A2 (0.47) LSSHTR2AHTR2CHTR2BCYP3A4
SCHEMBL8537654 0.77 HTR2A (0.59) LSSHTR2AHTR2CHTR2BCYP3A4
Hydrochloric Acid SCHEMBL8537801 0.76 HTR2A (0.59) LSSHTR2AHTR2CHTR2BCYP3A4

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 7 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-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