SCHEMBL114491

SCHEMBL114491

Cc1cc(C)n(C(C=O)N2CCN(c3ccccc3-c3cnc(N4CCC5CCCCC5C4)nc3)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL114638 0.89 CXCR3 (0.38) CXCR3KCNH2
SCHEMBL113141 0.88 CXCR3 (0.38) CXCR3KCNH2
SCHEMBL113125 0.87 CXCR3 (0.40) CXCR3KCNH2
SCHEMBL115240 0.87 MAPK8 (0.37) CXCR3KCNH2
SCHEMBL114747 0.87 CXCR3 (0.35) CXCR3KCNH2
SCHEMBL114718 0.87 CXCR3 (0.39) CXCR3KCNH2
SCHEMBL114041 0.86 CXCR3 (0.39) CXCR3KCNH2
SCHEMBL113541 0.86 KCNH2 (0.36) CXCR3KCNH2
SCHEMBL114565 0.85 CXCR3 (0.36) CXCR3KCNH2
SCHEMBL113227 0.85 PSEN1 (0.34) CXCR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed