SCHEMBL7276253

SCHEMBL7276253

CN(C)C(=O)CN1C(=O)[C@H](CC(=O)O)C[C@H]1COc1ccc(-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.55
ITGA2B P08514 17/20 0.55
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SRD5A2 P31213 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
SCHEMBL7277794 0.91 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7275114 0.91 ITGB3 (0.61) ITGB3ITGA2BPRSS1
SCHEMBL7283315 0.88 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7283263 0.88 ITGB3 (0.58) ITGB3ITGA2BPRSS1
SCHEMBL7282036 0.86 MMP2 (0.41) ITGB3ITGA2B
SCHEMBL7280353 0.85 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7272750 0.85 ITGB3 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7275930 0.85 ITGB3 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7283230 0.85 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7281127 0.85 ITGB3 (0.55) 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 claimed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US claimed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP claimed
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed