SCHEMBL30199623

SCHEMBL30199623

N#Cc1ccc(COc2cc(Cl)c3c(c2)CNCC3)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ PNMT P11086 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ MCHR1 Q99705 7/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ HPD P32754 1/20 0.32

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
SCHEMBL29097991 1.00 DRD2 (0.40) DRD2DRD3PNMTPRMT5EGFR
SCHEMBL30199135 0.91 PNMT (0.44) DRD2DRD3PNMTPRMT5EGFR
SCHEMBL29098094 0.91 PNMT (0.44) DRD2DRD3PNMTPRMT5EGFR
SCHEMBL30199144 0.82 DRD2 (0.57) DRD2DRD3PNMTPRMT5EGFR
SCHEMBL29097955 0.82 DRD2 (0.57) DRD2DRD3PNMTPRMT5EGFR
SCHEMBL30199396 0.82 DRD2 (0.57) DRD2DRD3PNMTPRMT5EGFR
SCHEMBL30199147 0.82 DRD2 (0.57) DRD2DRD3PNMTPRMT5EGFR
SCHEMBL29097839 0.82 DRD2 (0.57) DRD2DRD3PNMTPRMT5EGFR
SCHEMBL29097903 0.80 DRD2 (0.47) DRD2DRD3PNMTPRMT5EGFR
SCHEMBL29097946 0.77 PRMT5 (0.44) DRD2DRD3PNMTPRMT5EGFR

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-115594669-B Parallel ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-11-05 — — CN disclosed
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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