SCHEMBL30770347

SCHEMBL30770347

Cc1c(C)c(P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)c2c1Oc1ccccc1C2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPKAPK2 P49137 1/20 0.32
DRD1 P21728 2/20 0.30

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
SCHEMBL11297104 1.00 MAOA (0.40) MAOAMAOBMAPKAPK2DRD1
SCHEMBL28660534 0.89 MAOA (0.40) MAOAMAOBMAPKAPK2DRD1
SCHEMBL28904464 0.82 NPSR1 (0.32) MAOAMAOB
SCHEMBL6698583 0.77 MAOA (0.52) MAOAMAOBMAPKAPK2
SCHEMBL6599502 0.77 MAOA (0.42) MAOAMAOBMAPKAPK2
SCHEMBL6599506 0.72 MAOA (0.43) MAOAMAOBMAPKAPK2DRD1
SCHEMBL30168142 0.71 MAOA (0.46) MAOAMAOBMAPKAPK2DRD1
SCHEMBL2658102 0.71 MAOA (0.46) MAOAMAOBMAPKAPK2DRD1
SCHEMBL31673358 0.69 MAOA (0.50) MAOAMAOBDRD1
SCHEMBL115187 0.69 MAOA (0.50) MAOAMAOBMAPKAPK2DRD1

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-115427412-B Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-20 CN disclosed