SCHEMBL9009482

SCHEMBL9009482

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(Cc2ccccc2)c2ccc(CCCCOc3cccnc3N)cc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.34
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
CHRM5 P08912 2/20 0.30
HTR6 P50406 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
SCHEMBL7331919 0.92 PTGDR2 (0.31) PTGDR2
Trifluoroacetic Acid SCHEMBL9009478 0.92 PTGDR2 (0.36) PTGDR2ITGB3ITGA2BCHRM5
SCHEMBL7331254 0.90 PTGDR2 (0.39) PTGDR2ITGB3ITGA2B
SCHEMBL7327346 0.90 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7322230 0.90 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7326515 0.89 RXRA (0.32) ITGB3ITGA2B
SCHEMBL7331333 0.86 PTGDR2 (0.35) PTGDR2ITGB3ITGA2BCHRM5
Trifluoroacetic Acid SCHEMBL7331914 0.84 MEN1 (0.35) PTGDR2ITGB3ITGA2BCHRM5HTR6
SCHEMBL7329669 0.84 PTGDR2 (0.32) PTGDR2ITGB3ITGA2B
SCHEMBL7319156 0.84 MEN1 (0.33)

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-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed