SCHEMBL30199237

SCHEMBL30199237

O=C1NCCc2ccc(OCCc3ccc(Cl)cc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.60
MAOA P21397 10/20 0.60
PARP1 P09874 4/20 0.58
PARP10 Q53GL7 4/20 0.58
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
DRD2 P14416 5/20 0.51

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
SCHEMBL29098025 1.00 MAOB (0.60) MAOBMAOAPARP1PARP10F7
SCHEMBL1037269 0.82 DRD2 (0.56) PARP1PARP10F7F3DRD2
SCHEMBL1038435 0.81 DRD2 (0.57) PARP1PARP10F7F3DRD2
SCHEMBL29097994 0.78 HRH3 (0.56) MAOBMAOA
SCHEMBL247155 0.78 PARP10 (0.54) PARP1PARP10F7F3DRD2
SCHEMBL3397008 0.77 DRD2 (0.53) PARP1PARP10F7F3DRD2
SCHEMBL29676942 0.75 PARP10 (1.00) PARP1PARP10F7F3
SCHEMBL793493 0.75 PARP10 (1.00) PARP1PARP10F7F3
SCHEMBL31444064 0.74 MAOA (0.64) MAOBMAOAPARP1PARP10F7
SCHEMBL5106942 0.73 HRH3 (0.70) MAOBMAOADRD2

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