SCHEMBL7274610

SCHEMBL7274610

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)N)cc3)cc2)N(CC(N)=O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
PRSS1 P07477 4/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TMPRSS15 P98073 2/20 0.33
TMPRSS2 O15393 1/20 0.33
NQO2 P16083 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 SCHEMBL7281173 0.89 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7275632 0.89 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7282597 0.89 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7280862 0.89 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7276462 0.89 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7281428 0.88 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7276100 0.88 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7283263 0.88 ITGB3 (0.58) ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL7275889 0.87 ITGB3 (0.42) ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL7284338 0.87 ITGB3 (0.42) ITGB3ITGA2B

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
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