SCHEMBL10270572

SCHEMBL10270572

CC(C)[C@H]1C[C@@](C#N)(c2ccccn2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
ADRA1A P35348 2/20 0.37
OPRM1 P35372 5/20 0.33
OPRL1 P41146 5/20 0.33
PRKCA P17252 1/20 0.33
PTPN2 P17706 1/20 0.33
HTR7 P34969 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
SPR P35270 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
SCHEMBL10270829 1.00 HSD11B1 (0.38) HSD11B1ADRA1AOPRM1OPRL1PRKCA
SCHEMBL15199128 0.83 HSD11B1 (0.39) HSD11B1ADRA1AOPRM1OPRL1PRKCA
SCHEMBL15199130 0.83 HSD11B1 (0.39) HSD11B1ADRA1AOPRM1OPRL1PRKCA
SCHEMBL572676 0.81 HSD11B1 (0.40) HSD11B1ADRA1AOPRM1OPRL1PRKCA
SCHEMBL8242924 0.81 HSD11B1 (0.40) HSD11B1ADRA1AOPRM1OPRL1PRKCA
SCHEMBL572545 0.80 HSD11B1 (0.37) HSD11B1ADRA1AOPRM1OPRL1PRKCA
SCHEMBL7228658 0.79 OPRL1 (0.42) HSD11B1ADRA1AOPRM1OPRL1SLC6A2
SCHEMBL7157630 0.77 HSD11B1 (0.43) HSD11B1ADRA1AOPRM1OPRL1PRKCA
SCHEMBL30419444 0.77 HSD11B1 (0.43) HSD11B1ADRA1AOPRM1OPRL1PRKCA
SCHEMBL24434639 0.76 OPRM1 (0.35) OPRM1OPRL1SLC6A2SLC6A4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 WO disclosed