SCHEMBL7665397

SCHEMBL7665397

C[C@@]12C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)N1CC[C@@H]2c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.41
ITGB2 P05107 7/20 0.41
ICAM1 P05362 7/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL7665393 1.00 ITGAL (0.41) ITGALITGB2ICAM1TSHRMEN1
SCHEMBL7663042 0.88 ITGAL (0.46) ITGALITGB2ICAM1TSHRMEN1
SCHEMBL7663043 0.88 ITGAL (0.46) ITGALITGB2ICAM1TSHRMEN1
SCHEMBL7672836 0.82 MCHR1 (0.38) ITGALITGB2ICAM1
SCHEMBL18816258 0.72 TSHR (0.50) ITGALITGB2ICAM1TSHRMEN1
SCHEMBL22898531 0.67 ITGB2 (0.44) ITGALITGB2ICAM1TSHRMEN1
SCHEMBL22898545 0.67 ITGB2 (0.44) ITGALITGB2ICAM1TSHRMEN1
SCHEMBL22898533 0.67 ITGAL (0.44) ITGALITGB2ICAM1TSHRMEN1
SCHEMBL22898565 0.67 ITGAL (0.44) ITGALITGB2ICAM1TSHRMEN1
SCHEMBL18787397 0.67 ITGB2 (0.44) ITGALITGB2ICAM1TSHRMEN1

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-6365615-B1 DICHLOROPHENYL TETRAHYDROPYRROLO(1,2-C)IMIDAZOLE-1,3-DIONES; IMMUNE CELL MEDIATED CONDITIONS; ANTAGONISTS OF THE BINDING OF HUMON INTERCELLULAR ADHESION MOLECULES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-04-02 US claimed
US-6365615-B1 DICHLOROPHENYL TETRAHYDROPYRROLO(1,2-C)IMIDAZOLE-1,3-DIONES; IMMUNE CELL MEDIATED CONDITIONS; ANTAGONISTS OF THE BINDING OF HUMON INTERCELLULAR ADHESION MOLECULES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-04-02 US disclosed
US-6365615-B1 DICHLOROPHENYL TETRAHYDROPYRROLO(1,2-C)IMIDAZOLE-1,3-DIONES; IMMUNE CELL MEDIATED CONDITIONS; ANTAGONISTS OF THE BINDING OF HUMON INTERCELLULAR ADHESION MOLECULES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-04-02 US disclosed
WO-2001007052-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO disclosed