SCHEMBL29496062

SCHEMBL29496062

CCc1ccc(-c2cccc3ccc(N4CCCOCC4)nc23)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ PIM1 P11309 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ HTR3A P46098 1/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ SHMT2 P34897 3/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ATR Q13535 3/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ ATRIP Q8WXE1 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
SCHEMBL29495910 0.84 GAA (0.49) GAAPIM1PIM2HTR3ACNR2
SCHEMBL22969511 0.84 GAA (0.49) GAAPIM1PIM2HTR3ACNR2
SCHEMBL29496148 0.82 HTR3A (0.41) GAAHTR3ACNR2PDE10AADRB1
SCHEMBL29495731 0.81 GAA (0.52) GAAPIM1PIM2HTR3ACNR2
SCHEMBL22969615 0.81 GAA (0.52) GAAPIM1PIM2HTR3ACNR2
SCHEMBL16891612 0.73 GAA (0.63) GAAPIM1PIM2HTR3ASHMT2
SCHEMBL22969580 0.73 HTR3A (0.47) GAAHTR3APDE10AADRB1
SCHEMBL29495986 0.73 HTR3A (0.47) GAAHTR3APDE10AADRB1
SCHEMBL29496052 0.72 GAA (0.62) GAAPIM1PIM2HTR3ACNR2
SCHEMBL28722011 0.72 GAA (0.62) GAAPIM1PIM2HTR3ACNR2

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
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 — — CN disclosed
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