SCHEMBL11197047

SCHEMBL11197047

Nc1nnc(N2CCN(Cc3ccc(F)cc3)CC2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.45
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ AR P10275 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ OPRM1 P35372 1/20 0.42

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
SCHEMBL11194501 0.89 LMNA (0.51) KDM4EMAPK1GAADRD4
SCHEMBL11196110 0.86 ALDH1A1 (0.50) MAPTMAPK1GAAL3MBTL1ACHE
SCHEMBL10856538 0.86 GAA (0.58) KDM4EMAPTMAPK1GAADRD4
SCHEMBL10851723 0.84 TNKS (0.50) KDM4EMAPK1GAA
SCHEMBL11201299 0.83 USP2 (0.50) MAPK1GAAARKCNH2OPRM1
SCHEMBL10860653 0.83 SIGMAR1 (0.54) HTR1AHTR2CGAAOPRM1
SCHEMBL11197942 0.82 HRH3 (0.45) MAPK1GAA
SCHEMBL11200656 0.79 SIGMAR1 (0.57) KDM4EMAPTHTR1AGAAL3MBTL1
SCHEMBL11202780 0.78 POLB (0.56) KDM4EMAPK1HTR1ADRD4OPRK1
SCHEMBL16825881 0.78 KDM4E (0.52) KDM4EMAPTMAPK1HTR3EHTR3B

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-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 — — US claimed
US-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 — — US disclosed
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