SCHEMBL7284924

SCHEMBL7284924

N=C(N)c1ccc(Oc2ccccc2C(=O)NC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.57
ITGA2B P08514 7/20 0.57
F2 P00734 3/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
F10 P00742 2/20 0.39
PLG P00747 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK8 P45983 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
CTNNB1 P35222 1/20 0.35

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
Hydrochloric Acid SCHEMBL7282541 0.91 ITGB3 (0.47) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7276442 0.80 ITGB3 (0.43) ITGB3ITGA2BKDM4EALDH1A1GAA
SCHEMBL7273353 0.78 NPSR1 (0.43) ITGB3ITGA2BALDH1A1L3MBTL1
SCHEMBL7275474 0.76 ITGB3 (0.53) ITGB3ITGA2BF2
SCHEMBL7274152 0.75 ITGB3 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7287750 0.74 ITGB3 (0.51) ITGB3ITGA2B
Fradafiban SCHEMBL8863359 0.73 ITGB3 (1.00) ITGB3ITGA2BF2PRSS1ST14
Fradafiban SCHEMBL380350 0.73 ITGB3 (1.00) ITGB3ITGA2BF2PRSS1ST14
Fradafiban SCHEMBL7280818 0.72 ITGB3 (0.98) ITGB3ITGA2BF2PRSS1ST14
Hydrochloric Acid SCHEMBL7283354 0.71 HCRTR1 (0.41) ITGB3ITGA2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed