SCHEMBL9648166

SCHEMBL9648166

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.42
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
DRD2 P14416 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
SCHEMBL9648177 1.00 SIGMAR1 (0.42) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL9648271 0.93 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9647286 0.93 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9645248 0.93 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9646897 0.93 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9645253 0.93 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9648278 0.93 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9647272 0.93 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9647280 0.93 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9646891 0.93 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2B

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