SCHEMBL9648271

SCHEMBL9648271

C/C=C\COCC1CCC([C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL9648278 1.00 HTR2A (0.39) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9648177 0.93 SIGMAR1 (0.42) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9648166 0.93 SIGMAR1 (0.42) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9645253 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647272 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9646897 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9645248 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647286 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647280 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9646891 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BSIGMAR1

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-5102578-A Electrooptics HOFFMANN-LA ROCHE INC. (US) 1992-04-07 US disclosed