SCHEMBL7362005

SCHEMBL7362005

O=C(O)COc1ccc(N2CCN(CCC3CCNCC3)CC2)cc1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
DRD2 P14416 7/20 0.42
DRD3 P35462 7/20 0.42
PTGDR Q13258 5/20 0.40

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 SCHEMBL7448812 0.99 ITGB3 (0.51) ITGB3ITGA2BDRD2DRD3PTGDR
Hydrochloric Acid SCHEMBL7368304 0.88 ITGB3 (0.54) ITGB3ITGA2BPTGDR
SCHEMBL7369967 0.86 DRD2 (0.41) ITGB3ITGA2BDRD2DRD3
Hydrochloric Acid SCHEMBL7365109 0.86 DRD2 (0.41) ITGB3ITGA2BDRD2DRD3
SCHEMBL7366116 0.86 ITGB3 (0.51) ITGB3ITGA2BDRD2DRD3
Hydrochloric Acid SCHEMBL8476377 0.85 DRD2 (0.43) ITGB3ITGA2BDRD2DRD3
Hydrochloric Acid SCHEMBL7361494 0.85 ITGB3 (0.50) ITGB3ITGA2BDRD2DRD3
Hydrochloric Acid SCHEMBL8473679 0.85 DRD2 (0.42) ITGB3ITGA2BDRD2DRD3
Hydrochloric Acid SCHEMBL8477985 0.84 ITGB3 (0.51) ITGB3ITGA2BDRD2DRD3
Hydrochloric Acid SCHEMBL8481848 0.81 ITGB3 (0.43) ITGB3ITGA2BDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US claimed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP claimed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO claimed
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed