SCHEMBL17810233

SCHEMBL17810233

Ic1ccc2nc(C3CC3)cn2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.46
MCHR1 Q99705 3/20 0.41
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
PAX8 Q06710 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5C P41229 1/20 0.33
PDE10A Q9Y233 3/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL13556188 0.79 APP (0.59) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1500181 0.78 PIK3CG (0.55) APPMCHR1DRD2DRD4DRD3
SCHEMBL22235439 0.78 MCHR1 (0.41) APPMCHR1NPC1RAB9AALDH1A1
SCHEMBL5055929 0.78 APP (0.46) APPMCHR1NPC1RAB9AALDH1A3
SCHEMBL1665528 0.78 RAB9A (0.56) APPMCHR1NPC1RAB9AALDH1A1
SCHEMBL16739999 0.76 KDM4E (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL22259100 0.75 MCHR1 (0.48) APPMCHR1NPC1RAB9AALDH1A1
SCHEMBL19444520 0.75 RAB9A (0.49) APPMCHR1NPC1RAB9AALDH1A1
SCHEMBL25045602 0.74 APP (0.49) APPDRD2DRD4DRD3NPC1
SCHEMBL15177306 0.72 APP (0.73) APPNPC1RAB9AALDH1A1SMN1; SMN2

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
US-9365540-B2 Benzimidazole derivatives as MCH receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 US disclosed