SCHEMBL30020649

SCHEMBL30020649

COC(=O)c1nc(Cl)c(Cl)nc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 5/20 0.37
PKM P14618 2/20 0.37
S1PR4 O95977 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL15900342 1.00 NPSR1 (0.54) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL2408051 0.90 NPSR1 (0.52) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL31214346 0.90 NPSR1 (0.52) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL9091123 0.87 NPSR1 (0.71) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL12108293 0.86 NPSR1 (0.52) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL23900531 0.85 NPSR1 (0.47) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL15900363 0.85 NPSR1 (0.47) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL11730515 0.83 NPSR1 (0.54) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL2183292 0.83 NPSR1 (0.58) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL2408256 0.80 NPSR1 (0.61) NPSR1SMN1; SMN2RAB9AALDH1A1KDM4E

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
CN-115485273-B N- (heterocyclyl and heterocyclylalkyl) -3-benzyl pyridin-2-amine derivatives as SSTR4 agonists 武田药品工业株式会社 2024-08-13 CN disclosed
CN-115485273-A N- (heterocyclyl and heterocyclylalkyl) -3-benzylpyridin-2-amine derivatives as SSTR4 agonists 武田药品工业株式会社 2022-12-16 CN disclosed