SCHEMBL8537464

SCHEMBL8537464

CCN(CC)C(N)=NCC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.49
LSS P48449 1/20 0.48
GPR119 Q8TDV5 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
F10 P00742 1/20 0.44
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADH5 P11766 1/20 0.39
MMP1 P03956 1/20 0.38
MAOB P27338 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL8537461 0.79 LSS (0.48) SLC9A1LSSGPR119HTR2AHTR2C
SCHEMBL8537654 0.77 HTR2A (0.59) SLC9A1LSSGPR119HTR2AHTR2C
SCHEMBL4723273 0.76 F10 (0.56) SLC9A1LSSGPR119HTR2AHTR2C
Hydrochloric Acid SCHEMBL8539581 0.76 HTR2A (0.58) SLC9A1LSSGPR119HTR2AHTR2C
SCHEMBL8536934 0.74 HTR2A (0.60) SLC9A1LSSGPR119HTR2AHTR2C
Hydrochloric Acid SCHEMBL8537801 0.74 HTR2A (0.59) SLC9A1LSSGPR119HTR2AHTR2C
SCHEMBL4723269 0.73 HTR2A (0.57) SLC9A1LSSGPR119HTR2AHTR2C
SCHEMBL8534514 0.72 HTR2A (0.51) SLC9A1LSSGPR119HTR2AHTR2C
SCHEMBL9363641 0.72 HPGD (0.68) LSSHTR2AHTR2CHTR2BMAPT
SCHEMBL8535599 0.71 LSS (0.50) SLC9A1LSSGPR119HTR2AHTR2C

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