SCHEMBL7418903

SCHEMBL7418903

CCOC(=O)CCNC(=O)CC1CCN(c2ccc(C=NN)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
POLB P06746 1/20 0.36
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
LGMN Q99538 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL7418959 0.95 ITGB3 (0.47) ITGB3ITGA2BPOLBTP53MDM2
SCHEMBL7419658 0.88 ITGB3 (0.36) ITGB3ITGA2BALDH1A1KDM4EHTT
SCHEMBL7420314 0.84 ITGB3 (0.39) ITGB3ITGA2BCYP2D6MEN1RAB9A
SCHEMBL7418895 0.84 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7415142 0.83 ITGB3 (0.73) ITGB3ITGA2BPOLBALDH1A1LMNA
SCHEMBL7419677 0.83 ITGB3 (0.50) ITGB3ITGA2BPOLBLMNAKDM4E
SCHEMBL7419186 0.82 ITGB3 (0.37) ITGB3ITGA2BMEN1RAB9AKMT2A
SCHEMBL7416753 0.82 ITGB3 (0.34) ITGB3ITGA2BALDH1A1KDM4EHTT
SCHEMBL7423411 0.81 ITGB3 (0.41) ITGB3ITGA2BLGMNMEN1RAB9A
Acetic Acid SCHEMBL7417478 0.81 ITGB3 (0.69) ITGB3ITGA2BPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed
JP-3034046-B2 2000-04-17 JP claimed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO claimed
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed