SCHEMBL7703962

SCHEMBL7703962

CC[C@]1(Cc2ccc(Br)cc2)NC(=O)N(c2cc(Cl)nc(Cl)c2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.56
ITGB2 P05107 18/20 0.44
ICAM1 P05362 18/20 0.44
FPR2 P25090 1/20 0.37

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
SCHEMBL5206070 0.83 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5206081 0.83 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL21239539 0.75 FPR2 (0.51) ITGALFPR2
SCHEMBL7706514 0.74 ITGAL (0.60) ITGALITGB2ICAM1
SCHEMBL5239341 0.73 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5203942 0.73 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL6314324 0.72 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6314317 0.72 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5201254 0.71 ITGAL (0.61) ITGALITGB2ICAM1FPR2
SCHEMBL11722683 0.71 ITGAL (0.49) ITGALITGB2ICAM1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350763-B1 AND IMMUNE CELL-MEDIATED DISEASES; SELECTIVELY ANTAGONIZE THE BINDING OF THE CAMS TO THE LEUKOINTEGRINS; BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-02-26 US disclosed