SCHEMBL8539381

SCHEMBL8539381

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.51
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
F10 P00742 1/20 0.44
SLC9A1 P19634 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42

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
SCHEMBL8534504 0.91 LSS (0.52) LSSPDCD1CD274F10SLC9A1
SCHEMBL8535112 0.80 HTR2A (0.54) LSSPDCD1CD274F10SLC9A1
SCHEMBL8537672 0.74 AHR (0.55) LSSPDCD1CD274HTR2AHTR2C
SCHEMBL8537664 0.73 PDCD1 (0.52) LSSPDCD1CD274SLC9A1HTR2A
SCHEMBL8537654 0.73 HTR2A (0.59) LSSF10SLC9A1HTR2AHTR2C
SCHEMBL8534724 0.72 LSS (0.48) LSSPDCD1CD274F10SLC9A1
Hydrochloric Acid SCHEMBL8539581 0.72 HTR2A (0.58) LSSF10SLC9A1HTR2AHTR2C
SCHEMBL8536314 0.72 LSS (0.50) LSSPDCD1CD274HTR2AHTR2C
SCHEMBL8538842 0.72 LSS (0.48) LSSPDCD1CD274F10SLC9A1
SCHEMBL8537652 0.71 CYP1A2 (0.47) LSSPDCD1CD274SLC9A1HTR2A

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