SCHEMBL806632

SCHEMBL806632

Cc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)c(Cl)s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 9/20 0.63
TRPC6 Q9Y210 9/20 0.63
GRM5 P41594 1/20 0.47
TSHR P16473 1/20 0.46
TRPA1 O75762 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL798999 0.87 TRPC3 (0.63) TRPC3TRPC6GRM5TSHRTRPA1
SCHEMBL789564 0.77 TRPC3 (1.00) TRPC3TRPC6TSHRTRPA1CACNA1C
SCHEMBL12503736 0.75 TRPC3 (0.42) TRPC3TRPC6TSHRMAPTLMNA
SCHEMBL789018 0.74 TRPC3 (0.66) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL12503735 0.74 TRPC3 (0.48) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806597 0.74 TRPC3 (0.49) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10087862 0.73 TRPC3 (0.60) TRPC3TRPC6TSHRMAPTSMN1; SMN2
SCHEMBL806645 0.72 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10087865 0.72 TRPC3 (0.58) TRPC3TRPC6GRM5TSHRTRPA1
SCHEMBL806653 0.72 TRPC3 (0.54) TRPC3TRPC6GRM5TSHRMAPT

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
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed