SCHEMBL806599

SCHEMBL806599

Cc1sc(Nc2ccc3c(c2)OCCCO3)nc1C(=O)N1CCC(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 11/20 0.58
TRPC6 Q9Y210 11/20 0.58
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
GPR35 Q9HC97 2/20 0.44
GPR55 Q9Y2T6 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPA1 O75762 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TRPV4 Q9HBA0 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
SCHEMBL10087862 0.96 TRPC3 (0.60) TRPC3TRPC6HPGDSMN1; SMN2TSHR
SCHEMBL806597 0.82 TRPC3 (0.49) TRPC3TRPC6SMN1; SMN2NPC1RAB9A
SCHEMBL789220 0.77 MAPT (0.53) TRPC3TRPC6HPGDSMN1; SMN2TSHR
SCHEMBL12503735 0.74 TRPC3 (0.48) TRPC3TRPC6HPGDSMN1; SMN2NPC1
SCHEMBL807014 0.74 TRPC3 (0.73) TRPC3TRPC6HPGDSMN1; SMN2NPC1
SCHEMBL806653 0.73 TRPC3 (0.54) TRPC3TRPC6TSHRNPC1RAB9A
SCHEMBL807011 0.73 TRPC3 (0.58) TRPC3TRPC6HPGDSMN1; SMN2TSHR
SCHEMBL10087863 0.73 TRPC3 (0.58) TRPC3TRPC6HPGDSMN1; SMN2ALDH1A1
SCHEMBL806645 0.73 TRPC3 (0.58) TRPC3TRPC6HPGDSMN1; SMN2ALDH1A1
SCHEMBL10087865 0.73 TRPC3 (0.58) TRPC3TRPC6HPGDSMN1; SMN2TSHR

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