SCHEMBL4387563

SCHEMBL4387563

C=CCC(c1ccccc1)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CHRM2 P08172 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
PMP22 Q01453 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL6588790 0.78 TAAR1 (0.52) ALDH1A1HTR2ATAAR1
SCHEMBL2104158 0.78 CHRM2 (0.41) CYP2C19ALDH1A1KDM4ECYP3A4TSHR
SCHEMBL2105057 0.77 CHRM2 (0.41) CYP2C19ALDH1A1KDM4ECYP3A4TSHR
SCHEMBL1484177 0.77 SLC6A2 (0.49) CYP2C19ALDH1A1KDM4ECYP3A4SLC6A2
SCHEMBL9519037 0.77 KDM4E (0.38) ALDH1A1KDM4ECYP3A4LMNAMAPT
SCHEMBL9121993 0.75 CYP19A1 (0.43) ALDH1A1SLC6A2SLC6A4CHRM2SCN1A
SCHEMBL38229 0.75 SLC6A2 (0.53) CYP2C19ALDH1A1KDM4ECYP3A4TSHR
SCHEMBL691762 0.74 CYP2C19 (0.57) CYP2C19SMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL11891085 0.73 SLC6A2 (0.50) CYP2C19ALDH1A1TSHRMAPTSLC6A2
SCHEMBL15930125 0.73

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-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed