SCHEMBL20006441

SCHEMBL20006441

CNc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 14/20 0.58
ORAI1 Q96D31 4/20 0.52
KCNJ6 P48051 2/20 0.43
KCNJ3 P48549 2/20 0.43

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
SCHEMBL20006247 0.96 CRACR2A (0.55) CRACR2AORAI1KCNJ6KCNJ3
SCHEMBL20006306 0.80 CRACR2A (0.61) CRACR2AORAI1
SCHEMBL20006573 0.80 CRACR2A (0.59) CRACR2A
SCHEMBL20006524 0.80 CRACR2A (0.51) CRACR2AORAI1KCNJ6KCNJ3
SCHEMBL1668597 0.80 CRACR2A (0.52) CRACR2AORAI1
SCHEMBL20006241 0.79 CRACR2A (0.64) CRACR2AORAI1
SCHEMBL1879356 0.76 CRACR2A (0.72) CRACR2AORAI1
SCHEMBL6889813 0.76 CRACR2A (0.61) CRACR2AORAI1KCNJ6KCNJ3
SCHEMBL1667966 0.75 CRACR2A (0.81) CRACR2AORAI1KCNJ6KCNJ3
SCHEMBL1666818 0.75 CRACR2A (0.58) 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
EP-3299361-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2018-03-28 EP disclosed