SCHEMBL8836971

SCHEMBL8836971

N=C(N)NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)OC(=O)C(F)(F)F)CC(=O)N2Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.37
LIPG Q9Y5X9 4/20 0.34
PLAAT3 P53816 2/20 0.32
PLAAT5 Q96KN8 2/20 0.32
PLAAT2 Q9NWW9 2/20 0.32
PLAAT4 Q9UL19 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 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
SCHEMBL7326961 1.00 CHRM5 (0.37) CHRM5LIPGPLAAT3PLAAT5PLAAT2
SCHEMBL7326295 0.95 FDFT1 (0.33) CHRM5LIPGHRH3FAAHMGLL
SCHEMBL7324293 0.95 FDFT1 (0.33) CHRM5LIPGHRH3FAAHMGLL
SCHEMBL7327618 0.92 CHRM5 (0.36) CHRM5ITGB3ITGA2BPTGDR2
SCHEMBL7321624 0.92 CHRM5 (0.36) CHRM5ITGB3ITGA2BPTGDR2
SCHEMBL9285955 0.91 CTRB1 (0.36) LIPGITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8836959 0.91 CHRM5 (0.39) CHRM5LIPGPLAAT3PLAAT5PLAAT2
Trifluoroacetic Acid SCHEMBL7326956 0.91 CHRM5 (0.39) CHRM5LIPGPLAAT3PLAAT5PLAAT2
SCHEMBL8836947 0.90 ALDH1A1 (0.37) CHRM5HRH3ITGB3ITGA2BPTGDR2
SCHEMBL7320353 0.90 ALDH1A1 (0.37) CHRM5HRH3ITGB3ITGA2BPTGDR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed