SCHEMBL7273096

SCHEMBL7273096

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CC[S+]([O-])c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
FFAR4 Q5NUL3 2/20 0.33
NR1D1 P20393 1/20 0.33
F2 P00734 5/20 0.32
PRSS1 P07477 3/20 0.32
PRSS2 P07478 3/20 0.32
PRSS3 P35030 3/20 0.32
F10 P00742 2/20 0.32
PPARD Q03181 2/20 0.32
TMPRSS6 Q8IU80 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NQO2 P16083 1/20 0.31

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
SCHEMBL7273299 0.86 ITGB3 (0.52) ITGB3ITGA2BPRSS1PPARD
SCHEMBL7272750 0.85 ITGB3 (0.59) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7275930 0.85 ITGB3 (0.59) ITGB3ITGA2BF2PRSS1PRSS2
Water SCHEMBL8881986 0.84 ITGB3 (0.55) ITGB3ITGA2BF2PRSS1PRSS2
Water SCHEMBL8881880 0.84 ITGB3 (0.56) ITGB3ITGA2BF2PRSS1F10
SCHEMBL7276387 0.84 ITGB3 (0.54) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7273468 0.84 ITGB3 (0.54) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7271968 0.83 ITGB3 (0.53) ITGB3ITGA2BFFAR4F2PRSS1
SCHEMBL7275114 0.83 ITGB3 (0.61) ITGB3ITGA2BPRSS1
Water SCHEMBL8882277 0.83 ITGB3 (0.56) ITGB3ITGA2BFFAR4F2PRSS1

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