SCHEMBL1406879

SCHEMBL1406879

CCN(CC)CC.CCOC(=O)c1cnn(C2CC2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC1 P48995 1/20 0.45
TRPC3 Q13507 1/20 0.45
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
STIM2 Q9P246 1/20 0.45
KDM4E B2RXH2 10/20 0.43
HPGD P15428 7/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 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
SCHEMBL1406984 0.94 TRPC1 (0.49) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1407027 0.89 TRPC1 (0.46) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1406945 0.89 TRPC1 (0.46) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1406944 0.89 TRPC1 (0.46) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1407189 0.89 TRPC1 (0.47) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1407035 0.89 LMNA (0.48) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1407011 0.88 LMNA (0.50) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL4719065 0.85 LMNA (0.45) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL4718208 0.84 LMNA (0.47) TRPC1TRPC3STIM1ORAI1STIM2
Hydrochloric Acid SCHEMBL4720818 0.81 LMNA (0.44) TRPC1TRPC3STIM1ORAI1STIM2

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-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed