SCHEMBL790044

SCHEMBL790044

Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)N1CCC(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 10/20 0.71
TRPC6 Q9Y210 10/20 0.71
TRPA1 O75762 1/20 0.71
CACNA1C Q13936 1/20 0.71
SCN5A Q14524 1/20 0.71
TRPV1 Q8NER1 1/20 0.71
TRPV4 Q9HBA0 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
GRM5 P41594 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10087863 0.90 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806645 0.90 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26459144 0.89 TRPC3 (0.72) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL790188 0.89 TRPC3 (0.72) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806650 0.88 TRPC3 (0.56) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10087865 0.88 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806647 0.87 TRPC3 (0.54) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26459111 0.83 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL30186173 0.83 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL798463 0.83 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A

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