SCHEMBL191004

SCHEMBL191004

Cc1csc(Nc2cc(OC3CCN(C(=O)O)CC3)ccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.43
NOS1 P29475 3/20 0.41
NOS2 P35228 3/20 0.41
SYK P43405 1/20 0.41
NOS3 P29474 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
CPS1 P31327 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
SCHEMBL190612 0.88 GPR119 (0.44) NOS1NOS2SYKNOS3
SCHEMBL190625 0.83 GRM5 (0.51) GRM5SYKTRPV4RAB9A
SCHEMBL192005 0.81 TRPV4 (0.47) GRM5SYKTRPV4RAB9A
Trifluoroacetic Acid SCHEMBL190215 0.81 SYK (0.47) GRM5SYKTRPV4GAA
SCHEMBL190059 0.80 CHEK2 (0.46) GRM5SYKSMN1; SMN2
SCHEMBL20446212 0.80 MAPK10 (0.53) NOS1NOS2NOS3
SCHEMBL2658979 0.77 TRPV4 (0.40) GRM5SYKTRPV4SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL2461325 0.76 ROCK1 (0.41) GRM5SYKTRPV4
SCHEMBL192164 0.76 ROCK1 (0.48) GRM5TRPV4
SCHEMBL191226 0.75 TRPV4 (0.43) GRM5TRPV4SMN1; SMN2GAARAB9A

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
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed