SCHEMBL3390922

SCHEMBL3390922

Cc1[c]c2ccccc2n1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.35
RPS6KB1 P23443 1/20 0.33
ROCK1 Q13464 1/20 0.33
TP53 P04637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP11B1 P15538 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
OPRM1 P35372 3/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30
OPRL1 P41146 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL700437 0.70 GPR3 (0.41) MEN1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL323754 0.65 ALDH1A1 (0.41) TP53MEN1ALDH1A1KMT2AMAPT
SCHEMBL2203714 0.65 KDM4E (0.43) MEN1ALDH1A1KMT2AMAPTCYP2D6
SCHEMBL31469417 0.65 CYP1A2 (0.48) CYP11B2MEN1ALDH1A1KMT2AMAPT
SCHEMBL16103839 0.64 OPRM1 (0.44) CYP11B2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11693011 0.63 GAA (0.41) HRH3MEN1ALDH1A1KMT2AMAPT
SCHEMBL9673866 0.63 CCR5 (0.60) CYP11B2RPS6KB1ROCK1TP53MEN1
SCHEMBL6030724 0.62 HSD17B10 (0.37) MEN1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL29643238 0.61 ALKBH5 (0.56) MEN1ALDH1A1KMT2AMAPTC5AR1
SCHEMBL11634743 0.61 IMPDH2 (0.32) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed