SCHEMBL13804309

SCHEMBL13804309

C[C@@]1(Cc2ccc(N)cc2)C(=O)N(c2cc(Cl)c(F)c(Cl)c2)c2ncc(C(=O)N[C@@H](CO)C(=O)NC3(c4ccccn4)CC3)n21

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.73
TMEM97 Q5BJF2 1/20 0.41
ITGB2 P05107 18/20 0.41
ICAM1 P05362 18/20 0.41

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
SCHEMBL2392945 0.92 ITGAL (0.86) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804336 0.92 ITGAL (0.69) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804334 0.92 ITGAL (0.69) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804197 0.85 ITGAL (0.60) ITGALTMEM97ITGB2ICAM1
Bi 1950 SCHEMBL31454137 0.84 ITGAL (1.00) ITGALTMEM97ITGB2ICAM1
Bi 1950 SCHEMBL2392811 0.84 ITGAL (1.00) ITGALTMEM97ITGB2ICAM1
SCHEMBL12259809 0.84 ITGAL (0.81) ITGALTMEM97ITGB2ICAM1
SCHEMBL12259802 0.84 ITGAL (0.67) ITGALTMEM97ITGB2ICAM1
SCHEMBL12259800 0.84 ITGAL (0.81) ITGALTMEM97ITGB2ICAM1
SCHEMBL12259801 0.82 ITGAL (0.64) ITGALTMEM97ITGB2ICAM1

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
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed