SCHEMBL7273455

SCHEMBL7273455

N=C(N)c1ccc(-c2ccc(CC(=O)N3CCC(CC(=O)O)C3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.54
ITGA2B P08514 18/20 0.54
TACR3 P29371 1/20 0.51
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51

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 SCHEMBL8409067 0.92 F2 (0.51) ITGB3ITGA2BTACR3F2PRSS1
Hydrochloric Acid SCHEMBL8410566 0.92 ITGB3 (0.61) ITGB3ITGA2BF2PRSS1TPSAB1
Hydrochloric Acid SCHEMBL7272726 0.86 F2 (0.49) ITGB3ITGA2BTACR3F2PRSS1
SCHEMBL8410417 0.86 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8410226 0.81 LTA4H (0.51) ITGB3ITGA2BF2PRSS1
SCHEMBL8863340 0.81 ITGB3 (0.61) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8408077 0.80 F2 (0.50) ITGB3ITGA2BF2PRSS1TPSAB1
Hydrochloric Acid SCHEMBL8407670 0.80 L3MBTL1 (0.61) ITGB3ITGA2BF2PRSS1TPSAB1
Hydrochloric Acid SCHEMBL8410466 0.80 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL8409985 0.80 ITGB3 (0.56) ITGB3ITGA2BF2PRSS1TPSAB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 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