SCHEMBL9409661

SCHEMBL9409661

CCCCS(=O)(=O)NC(Cc1ccc(NC(=O)c2ccc(C3CCNCC3)cc2)cc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
ITGAV P06756 1/20 0.51
CHRM2 P08172 1/20 0.51
SLC6A4 P31645 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 SCHEMBL9409538 0.99 ITGB3 (0.50) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL9409475 0.92 ITGB3 (0.57) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL9409662 0.91 ITGB3 (0.56) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL9409608 0.90 ITGB3 (0.48) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL9409524 0.90 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL9409595 0.86 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL9409490 0.84 NAMPT (0.46) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL9409615 0.83 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL9409603 0.82 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL9409373 0.82 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP claimed
JP-6239817-A None JP disclosed
JP-H06239817-A CARBOXYLIC ACID DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVE AND PREPARATION THEREOF DR KARL THOMAE GMBH 1994-08-30 JP disclosed
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed