SCHEMBL7368125

SCHEMBL7368125

CN1CC2CC1CC2CNC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ CHRNA7 P36544 5/20 0.49
▸ HTR3A P46098 2/20 0.49
▸ YTHDC1 Q96MU7 1/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HTR1A P08908 2/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL2089327 0.84 CHRNA7 (0.64) SMN1; SMN2KDM4ECHRNA7HTR3AYTHDC1
SCHEMBL14390875 0.79 CHRNA7 (0.52) SMN1; SMN2KDM4ECHRNA7HTR3AYTHDC1
SCHEMBL4748095 0.78 RAB9A (0.48) SMN1; SMN2KDM4ECHRNA7HTR3AYTHDC1
SCHEMBL2086156 0.77 CHRNA7 (0.64) SMN1; SMN2KDM4ECHRNA7HTR3AYTHDC1
SCHEMBL12441910 0.77 CHRNA7 (0.64) SMN1; SMN2KDM4ECHRNA7HTR3AYTHDC1
SCHEMBL6957369 0.76 GSK3B (0.70) SMN1; SMN2KDM4E
SCHEMBL5433264 0.75 RAB9A (0.61) SMN1; SMN2KDM4ECHRNA7HTR3AYTHDC1
SCHEMBL30068530 0.75 RAB9A (0.61) SMN1; SMN2KDM4ECHRNA7HTR3AYTHDC1
SCHEMBL7368122 0.75 CHRNA7 (0.45) KDM4ECHRNA7HTR3AYTHDC1NPC1
SCHEMBL2217879 0.73 CHRNA7 (0.58) SMN1; SMN2KDM4ECHRNA7HTR3AYTHDC1

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-0200444-A2 Azabicyclononyl-indazole-carboxamide having 5-HT antagonist activity BEECHAM GROUP PLC (GB) 1986-11-05 — — EP claimed
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