SCHEMBL11548815

SCHEMBL11548815

CC1Cc2ccccc2C(c2ccccc2)C1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.46
OPRM1 P35372 5/20 0.45
SLC22A12 Q96S37 1/20 0.44
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
OPRK1 P41145 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40

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
SCHEMBL7912606 0.89 SIGMAR1 (0.49) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL16009485 0.76 OPRM1 (0.42) OPRM1
SCHEMBL1389049 0.75 EDNRA (0.52) SIGMAR1
SCHEMBL14489160 0.75 OPRM1 (0.42) SIGMAR1OPRM1SLC22A12
SCHEMBL14488850 0.75 HTR2A (0.49) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL8527088 0.75 OPRM1 (0.42) SIGMAR1OPRM1SLC22A12
SCHEMBL14555192 0.74 CYP11B2 (0.43) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL14489184 0.73 GID4 (0.50) OPRM1
SCHEMBL410055 0.71 OPRM1 (0.44) OPRM1
SCHEMBL31124279 0.71 OPRM1 (0.44) OPRM1

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
US-4151182-A CATALYTIC OXIDATION FROM INDANS OR DIPHENYLMETHANE DERIVATIVES BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) 1979-04-24 US disclosed