SCHEMBL8536306

SCHEMBL8536306

O=C(c1ccc(-n2ccnc2)cc1)N1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.60
CYP3A4 P08684 1/20 0.56
BAZ2B Q9UIF8 1/20 0.56
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
ADH5 P11766 1/20 0.54
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
HTT P42858 1/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.48
ENPP2 Q13822 1/20 0.47
MAOB P27338 2/20 0.47
SLC6A7 Q99884 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
Hydrochloric Acid SCHEMBL5734554 0.99 LSS (0.59) LSSCYP3A4BAZ2BHTR2AHTR2C
SCHEMBL29800419 0.84 SIGMAR1 (0.51) LSSMKNK1MKNK2SIGMAR1PDE4A
SCHEMBL9363641 0.83 HPGD (0.68) LSSCYP3A4BAZ2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL9368954 0.82 HPGD (0.66) LSSCYP3A4BAZ2BHTR2AHTR2C
SCHEMBL8537654 0.81 HTR2A (0.59) LSSCYP3A4BAZ2BHTR2AHTR2C
SCHEMBL3577350 0.81 ALDH1A1 (0.71) MKNK1MKNK2SIGMAR1HPGDALDH1A1
Hydrochloric Acid SCHEMBL8539581 0.80 HTR2A (0.58) LSSCYP3A4BAZ2BHTR2AHTR2C
SCHEMBL8536934 0.79 HTR2A (0.60) LSSCYP3A4BAZ2BHTR2AHTR2C
SCHEMBL5273 0.78 SIGMAR1 (0.70) CYP3A4MKNK1MKNK2SIGMAR1HPGD
SCHEMBL8358137 0.78 SIGMAR1 (0.81) MKNK1MKNK2SIGMAR1HPGDALDH1A1

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