SCHEMBL789018

SCHEMBL789018

Cc1sc(Nc2ccccc2Cl)nc1C(=O)N1CCC(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 9/20 0.66
TRPC6 Q9Y210 9/20 0.66
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TRPA1 O75762 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN5A Q14524 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
TRPV4 Q9HBA0 1/20 0.48
HSD11B1 P28845 1/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL10087865 0.88 TRPC3 (0.58) TRPC3TRPC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL790044 0.82 TRPC3 (0.71) TRPC3TRPC6HPGDSMN1; SMN2TRPA1
SCHEMBL10080531 0.81 TRPC3 (0.58) TRPC3TRPC6NPC1RAB9AALDH1A1
SCHEMBL12503735 0.81 TRPC3 (0.48) TRPC3TRPC6NPC1RAB9AALDH1A1
SCHEMBL10087866 0.80 TRPC3 (0.48) TRPC3TRPC6NPC1RAB9AALDH1A1
SCHEMBL10087863 0.79 TRPC3 (0.58) TRPC3TRPC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL806645 0.79 TRPC3 (0.58) TRPC3TRPC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL806650 0.78 TRPC3 (0.56) TRPC3TRPC6NPC1RAB9AALDH1A1
SCHEMBL806647 0.76 TRPC3 (0.54) TRPC3TRPC6HPGDTRPA1CACNA1C
SCHEMBL12751758 0.75 TRPC3 (0.67) TRPC3TRPC6NPC1RAB9AALDH1A1

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