SCHEMBL8410754

SCHEMBL8410754

CN(C)C(=O)CC1CCN(C(=O)c2ccc(-c3ccc(C(=N)N)cc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.54
ITGA2B P08514 16/20 0.54
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
F2 P00734 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
F10 P00742 1/20 0.45

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
SCHEMBL9568124 0.88 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8863340 0.85 ITGB3 (0.61) ITGB3ITGA2BSMN1; SMN2
Hydrochloric Acid SCHEMBL8410466 0.84 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2
SCHEMBL8410357 0.84 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL9186836 0.83 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8409916 0.82 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8568607 0.82 SLC6A7 (0.49) L3MBTL3
Hydrochloric Acid SCHEMBL8885238 0.81 PRSS1 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL9568221 0.78 PRSS1 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL9568120 0.78 PRSS1 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3

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 5 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
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