SCHEMBL28073678

SCHEMBL28073678

CC1=C(C(N)=O)SCN1c1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 19/20 0.51
ORAI1 Q96D31 1/20 0.40

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
SCHEMBL27887548 0.88 CRACR2A (0.53) CRACR2AORAI1
SCHEMBL28073675 0.87 CRACR2A (0.51) CRACR2AORAI1
SCHEMBL28073661 0.82 CRACR2A (0.44) CRACR2AORAI1
SCHEMBL28073663 0.78 CRACR2A (0.38) CRACR2AORAI1
SCHEMBL27887592 0.76 CRACR2A (0.54) CRACR2AORAI1
SCHEMBL1668293 0.72 CRACR2A (0.55) CRACR2AORAI1
SCHEMBL6910047 0.72 CRACR2A (0.55) CRACR2AORAI1
SCHEMBL27904333 0.72 CRACR2A (0.53) CRACR2A
SCHEMBL28073645 0.70 CRACR2A (0.48) CRACR2AORAI1
SCHEMBL27887544 0.70 CRACR2A (0.47) 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 2 patents. 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
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 disclosed