SCHEMBL7410872

SCHEMBL7410872

CCOC(=O)CC(NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
KCNK3 O14649 2/20 0.38
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
MMEL1 Q495T6 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
SCHEMBL7421979 0.95 LMNA (0.44) LMNAITGB3ITGA2BKCNK3DPP4
SCHEMBL7532341 0.91 POLB (0.42) LMNAKCNK3GAASMN1; SMN2ALDH1A1
SCHEMBL7419412 0.90 ITGB3 (0.46) ITGB3ITGA2BDPP4DPP8KMT2A
SCHEMBL7533398 0.89 LMNA (0.33) LMNAITGB3ITGA2BKCNK3ALDH1A1
SCHEMBL7420056 0.89 LMNA (0.33) LMNAITGB3ITGA2BALDH1A1MEN1
SCHEMBL7421599 0.88 SMN1; SMN2 (0.36) LMNAITGB3ITGA2BKCNK3SMN1; SMN2
SCHEMBL7418875 0.88 ITGB3 (0.36) ITGB3ITGA2BGAAHPGDALDH1A1
SCHEMBL7421037 0.88 ITGB3 (0.36) ITGB3ITGA2BGAAHPGDALDH1A1
SCHEMBL7410866 0.86 ITGB3 (0.48) LMNAITGB3ITGA2BF2F10
SCHEMBL7420891 0.86 ITGB3 (0.48) LMNAITGB3ITGA2BF2F10

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
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed
CN-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN claimed
JP-3034046-B2 2000-04-17 JP claimed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN 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
CN-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed