SCHEMBL7273393

SCHEMBL7273393

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3Cc3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.55
ITGA2B P08514 11/20 0.55
F2 P00734 3/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
ST14 Q9Y5Y6 2/20 0.35
TMPRSS6 Q8IU80 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NQO2 P16083 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7282834 0.93 ITGB3 (0.56) ITGB3ITGA2BF2
SCHEMBL7274856 0.91 ITGB3 (0.55) ITGB3ITGA2BF2NQO2
SCHEMBL7283507 0.91 ITGB3 (0.55) ITGB3ITGA2BF2PRSS1PRSS2
Water SCHEMBL8882277 0.91 ITGB3 (0.56) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL7282518 0.90 ITGB3 (0.43) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7275114 0.86 ITGB3 (0.61) ITGB3ITGA2BPRSS1
SCHEMBL7275930 0.84 ITGB3 (0.59) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7272750 0.84 ITGB3 (0.59) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL7274865 0.83 ITGB3 (0.46) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7283263 0.83 ITGB3 (0.58) ITGB3ITGA2BF2PRSS1

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