SCHEMBL7319614

SCHEMBL7319614

CCOC(=O)CCN1CC(=O)N(Cc2cccc3ccccc23)c2ccc(I)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.38
EDNRA P25101 2/20 0.37
KMT2A Q03164 2/20 0.37
CNR1 P21554 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
BACE1 P56817 1/20 0.35
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDYL Q9Y232 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL7335737 0.85 CTRB1 (0.41) KMT2AALDH1A1
SCHEMBL7330263 0.82 CCR8 (0.44) KMT2AKDM4EALDH1A1LMNA
SCHEMBL7323943 0.81 CHRM5 (0.40) KMT2AALDH1A1LMNANPSR1
SCHEMBL7328979 0.80 HDAC6 (0.41) KMT2AKDM4ECREBBPALDH1A1LMNA
SCHEMBL7325381 0.80 ITGB3 (0.46) TNFKMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL7328570 0.79 POLB (0.45) ALDH1A1LMNABRD4
SCHEMBL7333068 0.79 BRD4 (0.38) EDNRABRD4
SCHEMBL7324656 0.79 BRD4 (0.38) EDNRABRD4
SCHEMBL7329514 0.79 HSP90AA1 (0.43) KDM4EALDH1A1NPSR1
SCHEMBL7332495 0.78 ALDH1A1 (0.40) TNFKMT2AKDM4EALDH1A1LMNA

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