SCHEMBL7324070

SCHEMBL7324070

CCOC(=O)CC(C)N1C(=O)c2cc(CCc3cccc(C#N)c3)ccc2N(c2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.36
GRM5 P41594 1/20 0.35
MDM2 Q00987 4/20 0.34
TP53 P04637 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CCKBR P32239 1/20 0.33
FFAR1 O14842 1/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2C9 P11712 1/20 0.32
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7324983 0.91 TNF (0.34) ELANEGRM5MDM2TP53PDCD1
SCHEMBL7332082 0.91 MDM2 (0.35) ELANEGRM5MDM2TP53PDCD1
SCHEMBL7326303 0.90 MDM2 (0.35) ELANEGRM5MDM2TP53PDCD1
SCHEMBL7333912 0.90 ELANE (0.39) ELANEGRM5MDM2TP53CCKBR
SCHEMBL7323174 0.90 MAPT (0.38) MDM2TP53POLB
SCHEMBL7354728 0.89 ELANE (0.33) ELANEMDM2TP53CYP3A4
SCHEMBL8843197 0.87 MAPT (0.32) ELANEMDM2CYP2C9ATM
SCHEMBL7324345 0.82 GRM5 (0.36) GRM5PDCD1CD274FFAR1CYP2C9
SCHEMBL7318695 0.82 TNF (0.36) GRM5MDM2TP53PDCD1CD274
SCHEMBL7321448 0.82 ELANE (0.38) ELANEGRM5MDM2TP53CCKBR

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-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