SCHEMBL31295104

SCHEMBL31295104

c1ccc(CN2CCOC(c3n[nH]c4ccccc34)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.48
▸ ACHE P22303 1/20 0.47
▸ DRD4 P21917 8/20 0.47
▸ DRD3 P35462 5/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ CYP2D6 P10635 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ROCK2 O75116 1/20 0.42

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
SCHEMBL27405274 0.75 CNR2 (0.77) CNR2DRD4
SCHEMBL9523733 0.75 CNR2 (0.77) CNR2DRD4
SCHEMBL31295307 0.74 SIGMAR1 (0.44) ACHEDRD4DRD2
Hydrochloric Acid SCHEMBL8097089 0.74 CNR2 (0.75) CNR2DRD4
SCHEMBL24009674 0.72 CNR2 (0.57) CNR2DRD4DRD3DRD2
SCHEMBL24002139 0.72 CNR2 (0.57) CNR2DRD4DRD3DRD2
SCHEMBL24009682 0.72 CNR2 (0.57) CNR2DRD4DRD3DRD2
SCHEMBL25171592 0.71 CNR2 (0.53) CNR2DRD4DRD3DRD2CYP2D6
SCHEMBL8630974 0.71 ACHE (0.57) ACHEDRD4DRD3DRD2
Hydrochloric Acid SCHEMBL29069504 0.71 CNR2 (0.56) CNR2DRD4DRD3DRD2

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-119698412-A 5-HT2A receptor agonist, and preparation method and application thereof 上海翊石医药科技有限公司 2025-03-25 — — CN disclosed
WO-2025021120-A1 5-HT2A RECEPTOR AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-01-30 — — WO disclosed
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