SCHEMBL807015

SCHEMBL807015

Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)N1CCc2ncccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 7/20 1.00
TRPC6 Q9Y210 7/20 1.00
TRPV1 Q8NER1 2/20 0.55
TRPA1 O75762 1/20 0.55
CACNA1C Q13936 1/20 0.55
SCN5A Q14524 1/20 0.55
TRPV4 Q9HBA0 1/20 0.55
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
P2RX7 Q99572 2/20 0.39
MAPT P10636 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
RIPK1 Q13546 1/20 0.37
KDR P35968 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SLC6A15 Q9H2J7 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36

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
SCHEMBL806807 0.82 TRPC3 (0.69) TRPC3TRPC6TRPV1TRPA1CACNA1C
SCHEMBL10080527 0.80 TRPC3 (0.66) TRPC3TRPC6TRPV1TRPA1CACNA1C
SCHEMBL790044 0.78 TRPC3 (0.71) TRPC3TRPC6TRPV1TRPA1CACNA1C
SCHEMBL10080530 0.78 TRPC3 (0.63) TRPC3TRPC6TRPV1TRPA1CACNA1C
SCHEMBL807009 0.77 TRPC3 (0.69) TRPC3TRPC6MAPTRIPK1KDR
SCHEMBL807012 0.76 TRPC3 (0.62) TRPC3TRPC6TRPV1TRPA1CACNA1C
SCHEMBL790188 0.75 TRPC3 (0.72) TRPC3TRPC6TRPV1TRPA1CACNA1C
SCHEMBL26459144 0.75 TRPC3 (0.72) TRPC3TRPC6TRPV1TRPA1CACNA1C
SCHEMBL807016 0.74 TRPC3 (0.58) TRPC3TRPC6TRPV1TRPA1CACNA1C
SCHEMBL10080531 0.74 TRPC3 (0.58) TRPC3TRPC6CNR1CNR2TAS1R3

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-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed