SCHEMBL20006304

SCHEMBL20006304

CN(C)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 14/20 0.53
PTGS2 P35354 2/20 0.51
PTGS1 P23219 1/20 0.51
ORAI1 Q96D31 3/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL626659 0.82 CRACR2A (0.56) CRACR2APTGS2PTGS1ORAI1KDM4E
SCHEMBL1880912 0.82 CRACR2A (0.56) CRACR2APTGS2PTGS1ORAI1KDM4E
SCHEMBL1667944 0.82 CRACR2A (0.56) CRACR2APTGS2ORAI1KDM4EALDH1A1
SCHEMBL20006306 0.81 CRACR2A (0.61) CRACR2APTGS2PTGS1ORAI1
SCHEMBL30785286 0.78 CRACR2A (0.56) CRACR2APTGS2ORAI1
SCHEMBL30677012 0.78 CRACR2A (0.55) CRACR2APTGS2ORAI1
SCHEMBL30677204 0.78 CRACR2A (0.53) CRACR2AORAI1
SCHEMBL30785292 0.78 CRACR2A (0.53) CRACR2APTGS2ORAI1KDM4EALDH1A1
SCHEMBL1668441 0.77 CRACR2A (0.65) CRACR2APTGS2ORAI1
SCHEMBL537516 0.77 PTGS2 (0.55) PTGS2PTGS1

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