SCHEMBL27865488

SCHEMBL27865488

[SnH]C1(c2cccnc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
LMNA P02545 2/20 0.40
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
VNN1 O95497 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL28026345 0.74 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2CYP3A4CHRM2
SCHEMBL27996642 0.74 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2CYP3A4CHRM2
SCHEMBL24867577 0.74 ALDH1A1 (0.43) ALDH1A1CYP2A6CYP1A2CYP3A4CHRM2
SCHEMBL17033073 0.74 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2CYP3A4CHRM2
SCHEMBL11971740 0.74 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2CYP3A4CHRM2
Hydrochloric Acid SCHEMBL23778490 0.72 ALDH1A1 (0.39) ALDH1A1CYP2A6CYP1A2CYP3A4CHRM2
SCHEMBL27881636 0.72 LMNA (0.36) ALDH1A1CHRM1LMNAMEN1KMT2A
SCHEMBL23722370 0.71 ALDH1A1 (0.55) ALDH1A1CYP3A4CHRM2CHRM4CHRM5
SCHEMBL30919794 0.71 ALDH1A1 (0.55) ALDH1A1CYP3A4CHRM2CHRM4CHRM5
SCHEMBL23231710 0.71 ALDH1A1 (0.55) ALDH1A1CYP3A4CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970708-A Cannibinoid receptor modulators 艾尼纳制药公司 2019-07-05 CN disclosed
CN-103492369-B Cannabinoid receptor modulators 艾尼纳制药公司 2019-03-29 CN disclosed
CN-102596913-B Cannabinoid receptor modulators 艾尼纳制药公司 2016-11-09 CN disclosed
CN-103539785-B Cannibinoid receptor modulators ARENA PHARM INC. (US) 2015-09-23 CN disclosed
CN-103539785-A Cannabinoid receptor modulators ARENA PHARM INC 2014-01-29 CN disclosed
CN-103492369-A Cannabinoid receptor modulators ARENA PHARM INC 2014-01-01 CN disclosed
CN-102596913-A Cannabinoid receptor modulators ARENA PHARM INC 2012-07-18 CN disclosed