SCHEMBL20006292

SCHEMBL20006292

C=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1c(F)cccc1F

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 15/20 0.60
ORAI1 Q96D31 4/20 0.50
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45

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
SCHEMBL1886664 0.88 CRACR2A (0.77) CRACR2AORAI1
SCHEMBL1887682 0.81 CRACR2A (0.71) CRACR2AORAI1
SCHEMBL20041782 0.76 ORAI1 (0.59) CRACR2AORAI1
SCHEMBL12637985 0.76 CRACR2A (0.60) CRACR2A
SCHEMBL1671515 0.75 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1667966 0.74 CRACR2A (0.81) CRACR2AORAI1KCNJ6KCNJ3
SCHEMBL1668387 0.74 CRACR2A (0.78) CRACR2AORAI1
SCHEMBL20006441 0.73 CRACR2A (0.58) CRACR2AORAI1KCNJ6KCNJ3
SCHEMBL1668375 0.73 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1667877 0.73 CRACR2A (1.00) CRACR2A

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