SCHEMBL8536934

SCHEMBL8536934

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
CYP3A4 P08684 1/20 0.58
BAZ2B Q9UIF8 1/20 0.58
LSS P48449 1/20 0.56
GPR119 Q8TDV5 1/20 0.52
HTT P42858 1/20 0.51
SLC9A1 P19634 1/20 0.51
ADH5 P11766 1/20 0.49
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.46

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
Hydrochloric Acid SCHEMBL8537801 0.99 HTR2A (0.59) HTR2AHTR2CHTR2BCYP3A4BAZ2B
SCHEMBL8537654 0.85 HTR2A (0.59) HTR2AHTR2CHTR2BCYP3A4BAZ2B
Hydrochloric Acid SCHEMBL8539581 0.84 HTR2A (0.58) HTR2AHTR2CHTR2BCYP3A4BAZ2B
SCHEMBL4723269 0.83 HTR2A (0.57) HTR2AHTR2CHTR2BCYP3A4BAZ2B
SCHEMBL8534514 0.82 HTR2A (0.51) HTR2AHTR2CHTR2BCYP3A4BAZ2B
SCHEMBL9363641 0.82 HPGD (0.68) HTR2AHTR2CHTR2BCYP3A4BAZ2B
Hydrochloric Acid SCHEMBL9368954 0.81 HPGD (0.66) HTR2AHTR2CHTR2BCYP3A4BAZ2B
SCHEMBL8535112 0.81 HTR2A (0.54) HTR2AHTR2CHTR2BCYP3A4BAZ2B
SCHEMBL8534116 0.81 LSS (0.49) HTR2AHTR2CHTR2BCYP3A4BAZ2B
SCHEMBL8536306 0.79 LSS (0.60) HTR2AHTR2CHTR2BCYP3A4BAZ2B

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 6 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
WO-1991019709-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-26 WO disclosed