SCHEMBL30200138

SCHEMBL30200138

Fc1ccccc1COc1ccc2c(c1)CN(CC1C=CC=C[C@@H]1CC1CCO1)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ HRH1 P35367 2/20 0.41
▸ MAOB P27338 2/20 0.40
▸ S1PR5 Q9H228 3/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ SCN3A Q9NY46 3/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ GPR84 Q9NQS5 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
SCHEMBL30199267 0.90 GPR84 (0.43) HRH3CYP2D6HRH1S1PR5MCHR1
SCHEMBL30199745 0.88 HRH3 (0.38) HRH3CYP2D6HRH1S1PR5PRMT5
SCHEMBL30199647 0.88 HRH3 (0.55) HRH3CYP2D6HRH1PRMT5WDR77
SCHEMBL30199409 0.87 KCNH2 (0.41) HRH3HRH1KCNH2GPR84
SCHEMBL30199156 0.87 KCNH2 (0.41) HRH3HRH1KCNH2GPR84
SCHEMBL30199309 0.86 HRH3 (0.44) HRH3CYP2D6HRH1MAOBGPR84
SCHEMBL30199401 0.85 F10 (0.40) HRH3CYP2D6HRH1PRMT5WDR77
SCHEMBL30199079 0.85 HRH3 (0.39) HRH3CYP2D6HRH1MAOBS1PR5
SCHEMBL30199500 0.84 GPR84 (0.44) HRH3CYP2D6HRH1PRMT5WDR77
SCHEMBL30199470 0.84 HRH3 (0.39) HRH3CYP2D6HRH1S1PR5S1PR1

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-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 — — CN disclosed
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