SCHEMBL11548867

SCHEMBL11548867

CCC1c2ccccc2C(c2ccccc2)CC1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.44
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 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
SCHEMBL1388099 0.74 SIGMAR1 (0.55) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL7599978 0.74 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL7599981 0.74 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL2036589 0.74 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL7609588 0.74 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL7609590 0.74 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL11294227 0.70 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL11768569 0.69 MEN1 (0.41)
SCHEMBL11766654 0.69 EDNRA (0.41) SIGMAR1MTNR1AMTNR1B
SCHEMBL13906155 0.67 SIGMAR1 (0.48) SIGMAR1HTR2AHTR2CHTR2BHRH3

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