SCHEMBL7274168

SCHEMBL7274168

CN1CCN(C(=O)CN2C(=O)[C@H](CC(=O)O)C[C@H]2COc2ccc(-c3ccc(C(=N)N)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.52
ITGA2B P08514 11/20 0.52
ACHE P22303 1/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7284350 0.93 ITGB3 (0.52) ITGB3ITGA2BALDH1A1GLASMN1; SMN2
SCHEMBL7281127 0.92 ITGB3 (0.55) ITGB3ITGA2BALDH1A1
SCHEMBL7273817 0.91 ITGB3 (0.54) ITGB3ITGA2BACHEALDH1A1
Hydrochloric Acid SCHEMBL7284338 0.91 ITGB3 (0.42) ITGB3ITGA2BACHEKDM1AMAOA
SCHEMBL7272798 0.90 ITGB3 (0.49) ITGB3ITGA2BKDM1AALDH1A1GLA
SCHEMBL7281817 0.90 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7285404 0.90 ITGB3 (0.52) ITGB3ITGA2BACHENPC1ALDH1A1
SCHEMBL7282096 0.90 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL8882761 0.88 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7275114 0.87 ITGB3 (0.61) ITGB3ITGA2B

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