SCHEMBL6888028

SCHEMBL6888028

Cc1cccc(C(=O)Nc2ccc(-n3nc(C4CC4)cc3C3CC3)c(F)c2)c1F

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 19/20 0.72
ORAI1 Q96D31 1/20 0.53

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
SCHEMBL1876778 0.92 CRACR2A (0.78) CRACR2AORAI1
SCHEMBL1668349 0.91 CRACR2A (0.80) CRACR2AORAI1
SCHEMBL12638074 0.85 CRACR2A (0.76) CRACR2A
SCHEMBL1671515 0.84 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL12638071 0.83 CRACR2A (0.79) CRACR2A
SCHEMBL1884926 0.81 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1668037 0.80 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1668487 0.79 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1887682 0.79 CRACR2A (0.71) CRACR2AORAI1
SCHEMBL1668358 0.79 CRACR2A (1.00) CRACR2AORAI1

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-2011042797-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL ICOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 WO disclosed