SCHEMBL2362379

SCHEMBL2362379

CN1CCCN(C(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.O=C(Nc1cc(Cl)cnc1N1CCC(CC(=O)N2CCC(O)CC2)CC1)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.54
FNTA P49354 8/20 0.40
FNTB P49356 8/20 0.40
WDR5 P61964 1/20 0.40
RORC P51449 4/20 0.40
F10 P00742 2/20 0.39

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
SCHEMBL2278342 0.96 CXCR3 (0.58) CXCR3FNTAFNTBWDR5F10
SCHEMBL2271426 0.92 CXCR3 (0.62) CXCR3RORCF10
SCHEMBL12515554 0.89 CXCR3 (0.50) CXCR3FNTAFNTBWDR5
SCHEMBL2275602 0.89 CXCR3 (0.50) CXCR3FNTAFNTBWDR5
SCHEMBL2361498 0.89 CXCR3 (0.44) CXCR3FNTAFNTBWDR5RORC
SCHEMBL2268986 0.88 CXCR3 (0.62) CXCR3
SCHEMBL2222624 0.88 CXCR3 (0.49) CXCR3FNTAFNTBWDR5F10
SCHEMBL2269437 0.87 CXCR3 (0.48) CXCR3RORC
SCHEMBL2269078 0.87 CXCR3 (0.48) CXCR3FNTAFNTBWDR5RORC
SCHEMBL2267627 0.87 CXCR3 (0.50) CXCR3FNTAFNTBWDR5

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-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed