SCHEMBL29135316

SCHEMBL29135316

CC(c1ccccc1F)N1CCc2cc(-c3ccccc3OC(F)(F)F)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.42
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ SCN9A Q15858 4/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ THRB P10828 1/20 0.36
▸ PTPRC P08575 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ OPRD1 P41143 1/20 0.34

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
SCHEMBL29135318 0.87 HRH3 (0.55) HRH3KCNH2PTPRCMEN1KMT2A
SCHEMBL29135309 0.86 HRH3 (0.55) HRH3THRB
SCHEMBL29135321 0.85 HRH3 (0.44) HRH3ALOX5APFEN1KCNH2CYP2D6
SCHEMBL29135319 0.84 HRH3 (0.47) HRH3KCNH2MEN1KMT2AOPRD1
SCHEMBL29135308 0.83 HRH3 (0.43) HRH3ALOX5APFEN1PTPRCMEN1
SCHEMBL29135320 0.81 HRH3 (0.44) HRH3ALOX5APFEN1KCNH2PTPRC
SCHEMBL29135307 0.80 HRH3 (0.52) HRH3KCNH2
SCHEMBL29135310 0.80 SLC11A2 (0.42) HRH3KCNH2OPRD1
SCHEMBL29135317 0.79 DRD2 (0.44) HRH3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL29135306 0.79 HRH3 (0.47) HRH3OPRD1

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-114989085-B Aryl lactam ring compound, pharmaceutical composition and application thereof 安徽医科大学 2023-11-24 — — CN disclosed
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