SCHEMBL7272798

SCHEMBL7272798

CS(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@H](CC(=O)O)C[C@H]2COc2ccc(-c3ccc(C(=N)N)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.49
ITGA2B P08514 9/20 0.49
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PRSS3 P35030 1/20 0.36
LMNA P02545 1/20 0.35
KDM1A O60341 1/20 0.34
TSHR P16473 1/20 0.34
F11 P03951 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
Hydrochloric Acid SCHEMBL7309601 0.92 ITGB3 (0.40) ITGB3ITGA2BALDH1A1SMN1; SMN2GLA
SCHEMBL7284350 0.90 ITGB3 (0.52) ITGB3ITGA2BALDH1A1SMN1; SMN2GLA
SCHEMBL7274168 0.90 ITGB3 (0.52) ITGB3ITGA2BALDH1A1SMN1; SMN2GLA
SCHEMBL7281127 0.89 ITGB3 (0.55) ITGB3ITGA2BALDH1A1F10PRSS1
SCHEMBL7273817 0.88 ITGB3 (0.54) ITGB3ITGA2BALDH1A1F10PRSS1
SCHEMBL7281817 0.87 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7282096 0.87 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7285404 0.87 ITGB3 (0.52) ITGB3ITGA2BALDH1A1SMN1; SMN2LMNA
SCHEMBL8882761 0.85 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7275114 0.85 ITGB3 (0.61) ITGB3ITGA2BPRSS1

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