SCHEMBL7329083

SCHEMBL7329083

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 8/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.33
CASP3 P42574 2/20 0.32
CASP7 P55210 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CASP6 P55212 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL7331210 1.00 CHRM5 (0.41) CHRM5PTGDR2CASP3CASP7HDAC1
SCHEMBL7334537 0.95 CHRM5 (0.36) CHRM5HDAC1
SCHEMBL7326599 0.95 CHRM5 (0.36) CHRM5HDAC1
SCHEMBL7332796 0.91 CHRM5 (0.39) CHRM5PTGDR2CASP3HDAC6
SCHEMBL8836823 0.91 CHRM5 (0.39) CHRM5PTGDR2CASP3HDAC6
Trifluoroacetic Acid SCHEMBL7329072 0.90 CHRM5 (0.42) CHRM5PTGDR2CASP3CASP7
Trifluoroacetic Acid SCHEMBL7331205 0.90 CHRM5 (0.42) CHRM5PTGDR2CASP3CASP7
SCHEMBL7326961 0.90 CHRM5 (0.37) CHRM5PTGDR2LIPG
SCHEMBL8836971 0.90 CHRM5 (0.37) CHRM5PTGDR2LIPG
SCHEMBL7332747 0.89 PPARD (0.36) CHRM5PTGDR2

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 8 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed