SCHEMBL7274479

SCHEMBL7274479

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)N)cc3)cc2)NC1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.79
ITGA2B P08514 1/20 0.79
PRSS1 P07477 8/20 0.39
TMPRSS2 O15393 2/20 0.39
PRMT1 Q99873 3/20 0.38
F2 P00734 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
PLAU P00749 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PRMT5 O14744 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
PTP4A3 O75365 1/20 0.38
SLC22A3 O75751 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
S100B P04271 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38

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 SCHEMBL7282648 0.99 ITGB3 (0.78) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
Hydrochloric Acid SCHEMBL7284242 0.99 ITGB3 (0.78) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
Hydrochloric Acid SCHEMBL7276150 0.91 ITGB3 (0.68) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL7276046 0.90 ITGB3 (0.65) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8881415 0.90 ITGB3 (0.64) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL7273988 0.90 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7277517 0.90 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL9095006 0.90 ITGB3 (0.65) ITGB3ITGA2BPRSS1F2PLAU
Hydrochloric Acid SCHEMBL7278229 0.89 ITGB3 (0.64) ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL7275270 0.89 ITGB3 (0.75) ITGB3ITGA2BPRSS1TMPRSS2F2

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 10 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
US-5677466-A TESTING USING A AMIDINOPHENYL CONTAINING COMPOUND DR. KARL THOMAE, GMBH (DE) 1997-10-14 US 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-0567967-B1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production THOMAE GMBH DR K (DE) 1996-07-10 EP disclosed
EP-0567967-A1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production Dr. Karl Thomae GmbH (DE) 1993-11-03 EP 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