SCHEMBL8540469

SCHEMBL8540469

O=C(c1ccc(-n2ccnc2)cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.81
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
SIGMAR1 Q99720 1/20 0.57
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
PRKAB2 O43741 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PRKAG3 Q9UGI9 1/20 0.56
PRKAG2 Q9UGJ0 1/20 0.56

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
SCHEMBL8536252 0.94 LSS (0.72) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL1019998 0.79 KDM4E (0.94) MEN1KMT2AKDM4EALDH1A1SIGMAR1
SCHEMBL9645824 0.79 KDM4E (0.94) MEN1KMT2AKDM4EALDH1A1SIGMAR1
SCHEMBL8537662 0.79 LMNA (0.64) MEN1KMT2ASIGMAR1LMNATSHR
SCHEMBL9363641 0.79 HPGD (0.68) LSSMEN1KMT2ACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9368954 0.78 HPGD (0.66) LSSMEN1KMT2ACYP3A4CYP2D6
SCHEMBL4486386 0.77 KDM4E (0.78) MEN1KMT2AKDM4EALDH1A1SIGMAR1
SCHEMBL13149349 0.77 KDM4E (0.78) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL8536306 0.76 LSS (0.60) LSSALDH1A1SIGMAR1CYP3A4
SCHEMBL8536314 0.76 LSS (0.50) LSSMEN1KMT2APRKAB2PRKAG1

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 disclosed
EP-0537201-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-21 EP disclosed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US disclosed
WO-1991019709-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-26 WO disclosed