SCHEMBL7276743

SCHEMBL7276743

N=C(N)Nc1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.76
ITGA2B P08514 3/20 0.76
PPARD Q03181 5/20 0.37
PPARA Q07869 3/20 0.37
PPARG P37231 2/20 0.37
FFAR1 O14842 1/20 0.37
DGAT1 O75907 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAP2K1 Q02750 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33

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 SCHEMBL7272246 0.89 ITGB3 (0.61) ITGB3ITGA2BL3MBTL1IRAK4ALDH1A1
Fradafiban SCHEMBL8863359 0.86 ITGB3 (1.00) ITGB3ITGA2B
Fradafiban SCHEMBL380350 0.86 ITGB3 (1.00) ITGB3ITGA2B
Fradafiban SCHEMBL7280818 0.85 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7277088 0.83 ITGB3 (0.78) ITGB3ITGA2BPPARDPPARAPPARG
SCHEMBL7273484 0.82 ITGB3 (0.77) ITGB3ITGA2BPPARDPPARAPPARG
SCHEMBL7280992 0.82 ITGB3 (0.76) ITGB3ITGA2BPPARDPPARAPPARG
SCHEMBL7275264 0.82 ITGB3 (0.76) ITGB3ITGA2BPPARDPPARAPPARG
SCHEMBL7283786 0.82 ITGB3 (0.73) ITGB3ITGA2BPPARDPPARAPPARG
SCHEMBL7275425 0.81 ITGB3 (0.81) ITGB3ITGA2BPPARDPPARAPPARG

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 3 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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed