SCHEMBL9647429

SCHEMBL9647429

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9647438 1.00 HTR2A (0.37) HTR2AHTR2CHTR2BSIGMAR1SMN1; SMN2
SCHEMBL9647299 0.92 SMN1; SMN2 (0.40) HTR2AHTR2CHTR2BSIGMAR1SMN1; SMN2
SCHEMBL9647291 0.92 SMN1; SMN2 (0.40) HTR2AHTR2CHTR2BSIGMAR1SMN1; SMN2
SCHEMBL9648166 0.89 SIGMAR1 (0.42) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9648177 0.89 SIGMAR1 (0.42) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL10448181 0.89 HTR2A (0.30) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647234 0.88 HTR2A (0.38) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647230 0.88 HTR2A (0.38) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9648099 0.87 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL9645253 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