SCHEMBL8536314

SCHEMBL8536314

O=C(CCc1ccccc1)NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.50
EPHX1 P07099 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
TBXAS1 P24557 2/20 0.48
KMT2A Q03164 2/20 0.47
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
MMP1 P03956 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 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
SCHEMBL8534724 0.83 LSS (0.48) LSSPDCD1CD274TBXAS1KMT2A
SCHEMBL8535112 0.83 HTR2A (0.54) LSSEPHX1PDCD1CD274KMT2A
Hydrochloric Acid SCHEMBL7528427 0.78 LSS (0.49) LSSTBXAS1KMT2AHTR2AHTR2C
SCHEMBL8537672 0.77 AHR (0.55) LSSEPHX1PDCD1CD274KMT2A
SCHEMBL8537664 0.77 PDCD1 (0.52) LSSEPHX1PDCD1CD274KMT2A
SCHEMBL8540469 0.76 LSS (0.81) LSSKMT2APRKAB2PRKAG1PRKAA2
SCHEMBL8537662 0.76 LMNA (0.64) KMT2APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15533318 0.75 SIGMAR1 (0.59) EPHX1KMT2AMEN1
SCHEMBL8538842 0.75 LSS (0.48) LSSEPHX1PDCD1CD274KMT2A
SCHEMBL8537652 0.74 CYP1A2 (0.47) LSSPDCD1CD274KMT2APRKAB2

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-B1 1-[4-(IMIDAZOL-1-YL)BENZOYL]PIPERIDINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS SCHERING AG (DE) 1998-11-18 EP disclosed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US disclosed