SCHEMBL7362910

SCHEMBL7362910

CCCC(=O)N1CC(=O)N(Cc2ccc(F)cc2F)c2ccc(-c3ccc(OCCN)cc3)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.37
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
HTR2A P28223 3/20 0.34
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
CASP6 P55212 2/20 0.33
MAOB P27338 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM1 P11229 2/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CYP3A4 P08684 1/20 0.32
PDE4B Q07343 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM2 Q14416 1/20 0.32
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7358287 0.88 HDAC1 (0.36) HTR2A
SCHEMBL7363899 0.85 F10 (0.36) CHRM5RARARARBCASP3CASP7
SCHEMBL7362403 0.83 CHRM5 (0.38) CHRM5RARARARBHTR2ACASP3
SCHEMBL7362405 0.83 CHRM5 (0.43) CHRM5RARARARBHTR2ACASP3
SCHEMBL7363380 0.83 ITGB3 (0.40) CHRM5HTR2ACASP3CASP7CASP6
SCHEMBL7363866 0.82 ITGB3 (0.37) RARARARBL3MBTL1HRH3
SCHEMBL7363184 0.81 ITGB3 (0.39) HTR2AALDH1A1TDP1
SCHEMBL7359028 0.80 NAAA (0.37) ALDH1A1TDP1
SCHEMBL7356059 0.78 ACACA (0.33) RARARARB
SCHEMBL7361036 0.73 CHRM5 (0.38) CHRM5HTR2ACASP3CASP7CASP6

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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
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-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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed