SCHEMBL7285404

SCHEMBL7285404

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CC(=O)N3CCOCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.52
ITGA2B P08514 6/20 0.52
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.40
USP2 O75604 2/20 0.40
FKBP1A P62942 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL7281127 0.92 ITGB3 (0.55) ITGB3ITGA2BALDH1A1LMNA
SCHEMBL7275066 0.92 ITGB3 (0.43) ITGB3ITGA2BALDH1A1HPGDUSP2
SCHEMBL7273817 0.91 ITGB3 (0.54) ITGB3ITGA2BALDH1A1LMNAACHE
Hydrochloric Acid SCHEMBL7272795 0.90 ITGB3 (0.42) ITGB3ITGA2BALDH1A1HPGDUSP2
SCHEMBL7274168 0.90 ITGB3 (0.52) ITGB3ITGA2BALDH1A1ACHESMN1; SMN2
SCHEMBL7284350 0.90 ITGB3 (0.52) ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL7282096 0.90 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7281817 0.90 ITGB3 (0.54) 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