SCHEMBL1668271

SCHEMBL1668271

Cc1nc(-c2ccc(-n3nc(C4CC4)cc3C(F)(F)F)cc2)[nH]c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 8/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
APP P05067 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPC3 Q13507 1/20 0.33
ORAI1 Q96D31 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ3 P48549 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL1668268 0.75 CRACR2A (0.38) CRACR2AHPGDSMN1; SMN2GAATRPC3
SCHEMBL28073663 0.73 CRACR2A (0.38) CRACR2AHPGDSMN1; SMN2GAAPTGS1
SCHEMBL1668269 0.70 CRACR2A (0.50) CRACR2AHPGDGAAKDM4EALDH1A1
SCHEMBL1885456 0.67 CRACR2A (0.76) CRACR2AHPGDGAAKDM4EALDH1A1
SCHEMBL12298698 0.65 CNR1 (0.48) CRACR2ASMN1; SMN2PTGS2ALDH1A1KCNJ6
SCHEMBL1668102 0.62 EPHX2 (0.74) CRACR2ASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL31465902 0.62 P2RY14 (0.40) GAAKDM4EMAPT
SCHEMBL31466256 0.61 GPR119 (0.54) HPGDSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL2557636 0.60 NPC1 (0.63) SMN1; SMN2ALDH1A1MAPTPOLBKCNJ6
SCHEMBL7242808 0.59 ORAI1 (0.60) PTGS2KDM4EMAPTTRPC3ORAI1

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
EP-2509955-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2012-10-17 EP disclosed
WO-2011042797-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL ICOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 WO disclosed