SCHEMBL7706514

SCHEMBL7706514

CCN1C(=O)N(c2cc(Cl)nc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.60
ITGB2 P05107 19/20 0.60
ICAM1 P05362 19/20 0.60

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
SCHEMBL5239341 0.86 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5203942 0.86 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL7709464 0.82 ITGAL (0.57) ITGALITGB2ICAM1
SCHEMBL7970387 0.82 ITGAL (0.57) ITGALITGB2ICAM1
SCHEMBL12647778 0.76 ITGAL (0.70) ITGALITGB2ICAM1
SCHEMBL6312522 0.76 ITGAL (0.70) ITGALITGB2ICAM1
SCHEMBL5206070 0.75 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5206081 0.75 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5203590 0.75 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5203596 0.75 ITGAL (1.00) ITGALITGB2ICAM1

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
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 claimed
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
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
WO-2001007048-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO disclosed