SCHEMBL7271968

SCHEMBL7271968

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCSc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.53
ITGA2B P08514 8/20 0.53
PPARD Q03181 2/20 0.35
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
PRSS1 P07477 6/20 0.33
F2 P00734 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
F10 P00742 2/20 0.33
TMPRSS6 Q8IU80 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
TMPRSS2 O15393 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 SCHEMBL7285673 0.91 ITGB3 (0.43) ITGB3ITGA2BFFAR4PRSS1F2
Water SCHEMBL8881880 0.87 ITGB3 (0.56) ITGB3ITGA2BPPARDFFAR1PPARG
SCHEMBL7275930 0.86 ITGB3 (0.59) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7272750 0.86 ITGB3 (0.59) ITGB3ITGA2BPRSS1F2PRSS2
Water SCHEMBL8881986 0.86 ITGB3 (0.55) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7275215 0.86 ITGB3 (0.56) ITGB3ITGA2BPRSS1F2ST14
SCHEMBL7283093 0.85 ITGB3 (0.54) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7276387 0.85 ITGB3 (0.54) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7273468 0.85 ITGB3 (0.54) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7275114 0.84 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