SCHEMBL29135309

SCHEMBL29135309

CC(c1ccccc1F)N1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.55
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ OTUD7B Q6GQQ9 2/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CHRM5 P08912 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ USP30 Q70CQ3 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
SCHEMBL29135312 0.89 TMEM97 (0.41) HRH3CYP11B1CYP11B2
SCHEMBL29135316 0.86 HRH3 (0.42) HRH3THRB
SCHEMBL29135307 0.85 HRH3 (0.52) HRH3CYP11B1CYP11B2DHODH
SCHEMBL29135310 0.83 SLC11A2 (0.42) HRH3PRMT5WDR77
SCHEMBL29135319 0.83 HRH3 (0.47) HRH3
SCHEMBL29135318 0.82 HRH3 (0.55) HRH3CYP11B1CYP11B2
SCHEMBL29135321 0.81 HRH3 (0.44) HRH3PRMT5WDR77DHODH
SCHEMBL29135306 0.80 HRH3 (0.47) HRH3CYP11B2PRMT5WDR77
SCHEMBL29135317 0.79 DRD2 (0.44) HRH3
SCHEMBL29135315 0.79 HRH3 (0.40) HRH3DHODH

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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