SCHEMBL2858283

SCHEMBL2858283

Cc1cc(C)c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TRPC3 Q13507 2/20 0.39
ORAI1 Q96D31 2/20 0.39
TRPC1 P48995 1/20 0.39
STIM1 Q13586 1/20 0.39
STIM2 Q9P246 1/20 0.39
CCR1 P32246 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GPR6 P46095 1/20 0.38
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
P2RX7 Q99572 1/20 0.37
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
NR3C1 P04150 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
SCHEMBL2858515 0.91 MAPT (0.44) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2853465 0.89 RAB9A (0.44) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2852353 0.87 RAB9A (0.44) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2850694 0.86 MAPT (0.41) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2850809 0.86 MAPT (0.43) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2857582 0.85 MAPT (0.42) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2853258 0.84 NPY5R (0.45) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2852244 0.84 MAPT (0.48) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2859508 0.84 CYP1A2 (0.46) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2860489 0.84 RXFP1 (0.45) MAPTTRPC3ORAI1TRPC1STIM1

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