SCHEMBL7540165

SCHEMBL7540165

CCCCS(=O)(=O)NC(Cc1ccc2c(c1)Cc1cc(CCNC3=NCCN3)ccc1-2)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.44
ITGA2B P08514 14/20 0.44
ITGAV P06756 12/20 0.44
CHRM2 P08172 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL7542370 0.80 BCHE (0.43) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7540177 0.77 ITGAV (0.43) ITGB3ITGA2BITGAV
SCHEMBL13170299 0.71 ACE (0.46) ITGB3ITGA2BITGAV
SCHEMBL6869283 0.69 ITGB3 (0.59) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7399998 0.69 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7401807 0.68 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7349056 0.68 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL5782856 0.67 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL7399995 0.67 ITGB3 (0.43) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL3268531 0.67 ITGB3 (0.65) 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-1208088-A2 FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2002-05-29 EP claimed
WO-2001010841-A2 FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2001-02-15 WO claimed
EP-1208088-A2 FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2002-05-29 EP disclosed
WO-2001010841-A2 FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2001-02-15 WO disclosed