SCHEMBL29097946

SCHEMBL29097946

N#Cc1ccc(COc2ccc3c(c2Cl)CNCC3)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ PNMT P11086 6/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ MAPK14 Q16539 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ PDE5A O76074 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
SCHEMBL29098107 0.85 HDAC1 (0.48) PRMT5EGFRPNMTDRD2DRD3
SCHEMBL30199560 0.85 HDAC1 (0.48) PRMT5EGFRPNMTDRD2DRD3
SCHEMBL29097903 0.82 DRD2 (0.47) PRMT5EGFRPNMTDRD2DRD3
SCHEMBL30199144 0.78 DRD2 (0.57) PRMT5EGFRPNMTDRD2DRD3
SCHEMBL29097839 0.78 DRD2 (0.57) PRMT5EGFRPNMTDRD2DRD3
SCHEMBL30199147 0.78 DRD2 (0.57) PRMT5EGFRPNMTDRD2DRD3
SCHEMBL30199396 0.78 DRD2 (0.57) PRMT5EGFRPNMTDRD2DRD3
SCHEMBL29097955 0.78 DRD2 (0.57) PRMT5EGFRPNMTDRD2DRD3
SCHEMBL29097991 0.77 DRD2 (0.40) PRMT5EGFRPNMTDRD2DRD3
SCHEMBL29098094 0.76 PNMT (0.44) PRMT5EGFRPNMTDRD2DRD3

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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