SCHEMBL8534504

SCHEMBL8534504

O=C(Nc1cc(Cl)cc(Cl)c1)NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.52
EPHX2 P34913 7/20 0.52
F10 P00742 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SLC9A1 P19634 1/20 0.45
EPHX1 P07099 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43

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
SCHEMBL8539381 0.91 LSS (0.51) LSSEPHX2F10PDCD1CD274
SCHEMBL8535112 0.81 HTR2A (0.54) LSSEPHX2F10PDCD1CD274
SCHEMBL8538842 0.77 LSS (0.48) LSSEPHX2F10PDCD1CD274
SCHEMBL8537672 0.75 AHR (0.55) LSSEPHX2PDCD1CD274HTR2A
SCHEMBL8536946 0.75 PDCD1 (0.49) LSSEPHX2F10PDCD1CD274
SCHEMBL8537664 0.74 PDCD1 (0.52) LSSEPHX2PDCD1CD274HTR2A
SCHEMBL8537654 0.74 HTR2A (0.59) LSSF10HTR2AHTR2CHTR2B
SCHEMBL9589824 0.74 EPHX2 (0.46) LSSEPHX2F10PDCD1CD274
SCHEMBL8534724 0.74 LSS (0.48) LSSF10PDCD1CD274HTR2A
Hydrochloric Acid SCHEMBL8539581 0.73 HTR2A (0.58) LSSF10HTR2AHTR2CHTR2B

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 5 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