SCHEMBL13314909

SCHEMBL13314909

COC[C@H](C)NC(=O)N1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.42
GRAMD1A Q96CP6 1/20 0.41
PIK3CG P48736 1/20 0.39
ALOX15 P16050 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
SCHEMBL3537016 0.88 GCK (0.41) GCKGRAMD1A
SCHEMBL10764703 0.87 GRAMD1A (0.43) GCKGRAMD1APIK3CGALOX15
SCHEMBL3537071 0.81 ALOX15 (0.44) GRAMD1APIK3CGALOX15
SCHEMBL10825327 0.81 GAA (0.42) GRAMD1APIK3CGALOX15
SCHEMBL10825473 0.80 ALDH1A1 (0.44) GRAMD1APIK3CGALOX15
SCHEMBL3537610 0.80 GRAMD1A (0.45) GCKGRAMD1APIK3CGALOX15
SCHEMBL3534502 0.79 GAA (0.43) GRAMD1AALOX15
SCHEMBL10756470 0.79 TSHR (0.42) GRAMD1A
SCHEMBL9385295 0.79 GRM5 (0.51) GCKGRAMD1APIK3CGALOX15
SCHEMBL10825442 0.79 GAA (0.43) GRAMD1APIK3CGALOX15

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
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed