SCHEMBL2850554

SCHEMBL2850554

CCc1cc(CC)c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c(CC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
TRPC3 Q13507 2/20 0.42
TRPC1 P48995 1/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
STIM2 Q9P246 1/20 0.42
CCR1 P32246 4/20 0.39
P2RX7 Q99572 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACHE P22303 1/20 0.38
GPR6 P46095 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PDK2 Q15119 1/20 0.35
SMO Q99835 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL2857241 0.90 MAPT (0.44) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2857981 0.86 MAPT (0.51) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2860489 0.85 RXFP1 (0.45) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2856369 0.85 MAPT (0.42) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2850694 0.84 MAPT (0.41) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2858614 0.83 MAPT (0.40) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2858283 0.83 MAPT (0.43) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2858515 0.82 MAPT (0.44) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2852244 0.81 MAPT (0.48) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2850712 0.80 MAPT (0.41) MAPTTRPC3TRPC1STIM1ORAI1

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed