SCHEMBL8535112

SCHEMBL8535112

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
LSS P48449 1/20 0.54
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
EPHX1 P07099 2/20 0.50
ADH5 P11766 2/20 0.50
SLC9A1 P19634 1/20 0.49
HTT P42858 1/20 0.49
CYP3A4 P08684 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
GPR119 Q8TDV5 1/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47

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
SCHEMBL8537664 0.85 PDCD1 (0.52) HTR2AHTR2CHTR2BLSSPDCD1
SCHEMBL8537672 0.84 AHR (0.55) HTR2AHTR2CHTR2BLSSPDCD1
SCHEMBL8536314 0.83 LSS (0.50) HTR2AHTR2CHTR2BLSSPDCD1
SCHEMBL8537654 0.83 HTR2A (0.59) HTR2AHTR2CHTR2BLSSADH5
SCHEMBL8534724 0.82 LSS (0.48) HTR2AHTR2CHTR2BLSSPDCD1
Hydrochloric Acid SCHEMBL8539581 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BLSSADH5
SCHEMBL8534504 0.81 LSS (0.52) HTR2AHTR2CHTR2BLSSPDCD1
SCHEMBL8538842 0.81 LSS (0.48) HTR2AHTR2CHTR2BLSSPDCD1
SCHEMBL8537652 0.81 CYP1A2 (0.47) HTR2AHTR2CHTR2BLSSPDCD1
SCHEMBL8536934 0.81 HTR2A (0.60) HTR2AHTR2CHTR2BLSSADH5

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 4 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
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US 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