SCHEMBL7324293

SCHEMBL7324293

N=C(N)NCCCCCCc1ccc2c(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 9)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRM5 P08912 1/20 0.33
FAAH O00519 3/20 0.32
LIPG Q9Y5X9 2/20 0.32
MGLL Q99685 1/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.32
CTSD P07339 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
SCHEMBL7326295 1.00 FDFT1 (0.33) FDFT1HRH3CHRM5FAAHLIPG
SCHEMBL8836971 0.95 CHRM5 (0.37) HRH3CHRM5FAAHLIPGMGLL
SCHEMBL7326961 0.95 CHRM5 (0.37) HRH3CHRM5FAAHLIPGMGLL
Trifluoroacetic Acid SCHEMBL7326285 0.92 FDFT1 (0.36) FDFT1HRH3CHRM5LIPGFFAR1
Trifluoroacetic Acid SCHEMBL7324285 0.92 FDFT1 (0.36) FDFT1HRH3CHRM5LIPGFFAR1
SCHEMBL9285955 0.91 CTRB1 (0.36) LIPG
SCHEMBL7334537 0.90 CHRM5 (0.36) FDFT1CHRM5MGLLFFAR1LMNA
SCHEMBL7326599 0.90 CHRM5 (0.36) FDFT1CHRM5MGLLFFAR1LMNA
SCHEMBL7327618 0.88 CHRM5 (0.36) CHRM5
SCHEMBL7321624 0.88 CHRM5 (0.36) CHRM5

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 9 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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP 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