SCHEMBL29495986

SCHEMBL29495986

CCc1nc(N)ccc1-c1cccc2ccc(N3CCCC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.47
▸ ADRB1 P08588 1/20 0.44
▸ MCHR1 Q99705 7/20 0.40
▸ GAA P10253 3/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL22969580 1.00 HTR3A (0.47) HTR3AADRB1MCHR1GAAMAP4K4
SCHEMBL29495731 0.91 GAA (0.52) HTR3AADRB1MCHR1GAA
SCHEMBL22969615 0.91 GAA (0.52) HTR3AADRB1MCHR1GAA
SCHEMBL22969511 0.90 GAA (0.49) HTR3AADRB1MCHR1GAA
SCHEMBL29495910 0.90 GAA (0.49) HTR3AADRB1MCHR1GAA
SCHEMBL22969399 0.89 HTR3A (0.42) HTR3AADRB1MCHR1GAAPDE10A
SCHEMBL29495813 0.89 HTR3A (0.42) HTR3AADRB1MCHR1GAAPDE10A
SCHEMBL22969237 0.84 MCHR1 (0.49) MCHR1
SCHEMBL29495695 0.84 MCHR1 (0.49) MCHR1
SCHEMBL22969587 0.80 METAP2 (0.44) MCHR1

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