SCHEMBL29098094

SCHEMBL29098094

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 4/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ PRMT5 O14744 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ KCNH2 Q12809 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.35
▸ MCHR1 Q99705 5/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ KDM1A O60341 1/20 0.33

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
SCHEMBL30199135 1.00 PNMT (0.44) PNMTDRD2DRD3PRMT5EGFR
SCHEMBL30199623 0.91 DRD2 (0.40) PNMTDRD2DRD3PRMT5EGFR
SCHEMBL29097991 0.91 DRD2 (0.40) PNMTDRD2DRD3PRMT5EGFR
SCHEMBL29097839 0.86 DRD2 (0.57) PNMTDRD2DRD3PRMT5EGFR
SCHEMBL30199144 0.86 DRD2 (0.57) PNMTDRD2DRD3PRMT5EGFR
SCHEMBL29097955 0.86 DRD2 (0.57) PNMTDRD2DRD3PRMT5EGFR
SCHEMBL30199396 0.86 DRD2 (0.57) PNMTDRD2DRD3PRMT5EGFR
SCHEMBL30199147 0.86 DRD2 (0.57) PNMTDRD2DRD3PRMT5EGFR
SCHEMBL30199560 0.77 HDAC1 (0.48) PNMTDRD2DRD3PRMT5EGFR
SCHEMBL29098107 0.77 HDAC1 (0.48) PNMTDRD2DRD3PRMT5EGFR

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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