SCHEMBL7326599

SCHEMBL7326599

NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)OC(=O)C(F)(F)F)CC(=O)N2Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.36
HRH2 P25021 3/20 0.35
FDFT1 P37268 1/20 0.33
MGLL Q99685 1/20 0.33
HDAC1 Q13547 1/20 0.32
FFAR1 O14842 2/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
DAO P14920 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7334537 1.00 CHRM5 (0.36) CHRM5HRH2FDFT1MGLLHDAC1
SCHEMBL7329083 0.95 CHRM5 (0.41) CHRM5HDAC1
SCHEMBL7331210 0.95 CHRM5 (0.41) CHRM5HDAC1
Trifluoroacetic Acid SCHEMBL7334531 0.91 HRH2 (0.39) CHRM5HRH2FDFT1MGLLHDAC1
Trifluoroacetic Acid SCHEMBL7326588 0.91 HRH2 (0.39) CHRM5HRH2FDFT1MGLLHDAC1
SCHEMBL7324293 0.90 FDFT1 (0.33) CHRM5FDFT1MGLLFFAR1LMNA
SCHEMBL7326295 0.90 FDFT1 (0.33) CHRM5FDFT1MGLLFFAR1LMNA
SCHEMBL8842942 0.89 ATM (0.39) HDAC1GAA
SCHEMBL7332796 0.86 CHRM5 (0.39) CHRM5KDM4ELMNAGAA
SCHEMBL8836823 0.86 CHRM5 (0.39) CHRM5KDM4ELMNAGAA

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