SCHEMBL28073652

SCHEMBL28073652

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1cnccn1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 19/20 0.76
ORAI1 Q96D31 1/20 0.55

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
SCHEMBL1670431 0.86 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL27904313 0.86 CRACR2A (0.85) CRACR2A
SCHEMBL1883024 0.85 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL28073514 0.85 CRACR2A (0.76) CRACR2AORAI1
SCHEMBL1668221 0.85 CRACR2A (1.00) CRACR2AORAI1
Hydrochloric Acid SCHEMBL1668364 0.85 CRACR2A (0.98) CRACR2AORAI1
SCHEMBL1667974 0.84 CRACR2A (1.00) CRACR2AORAI1
Hydrochloric Acid SCHEMBL1876603 0.84 CRACR2A (0.98) CRACR2AORAI1
SCHEMBL27904315 0.83 CRACR2A (0.78) CRACR2AORAI1
SCHEMBL1670471 0.82 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
CN-102834382-B The pyrazole derivatives of calcium channel modulators is activated as calcium release 理森制药股份公司 2016-08-03 CN claimed