SCHEMBL8093679

SCHEMBL8093679

CC(C)(C)OC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C=NNO)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FPR2 P25090 9/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
FPR1 P21462 4/20 0.37
MIF P14174 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL7444880 0.91 ITGB3 (0.59) ITGB3ITGA2BNPC1RAB9AMEN1
SCHEMBL8109428 0.90 ITGB3 (0.57) ITGB3ITGA2BNPC1RAB9AMEN1
SCHEMBL7449230 0.90 ITGB3 (0.59) ITGB3ITGA2BNPC1RAB9AMEN1
SCHEMBL7449818 0.89 ITGB3 (0.70) ITGB3ITGA2BNPC1RAB9AFPR2
SCHEMBL8103426 0.89 ITGB3 (0.52) ITGB3ITGA2BNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL7447965 0.88 ITGB3 (0.69) ITGB3ITGA2BNPC1RAB9AFPR2
SCHEMBL7445991 0.88 ITGB3 (0.56) ITGB3ITGA2BNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL7454544 0.87 ITGB3 (0.55) ITGB3ITGA2BNPC1RAB9AKMT2A
SCHEMBL7449994 0.87 ITGB3 (0.62) ITGB3ITGA2BMEN1KMT2AFPR2
Hydrochloric Acid SCHEMBL7446952 0.86 ITGB3 (0.61) ITGB3ITGA2BMEN1KMT2AFPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US claimed
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US disclosed