SCHEMBL30720892

SCHEMBL30720892

O=C1c2ccc(Br)c(F)c2CN1C1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.42
▸ HTR2B P41595 16/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTR2C P28335 15/20 0.38
▸ HTR2A P28223 12/20 0.38

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
SCHEMBL30659847 0.82 PARP1 (0.49) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30459786 0.82 PARP1 (0.43) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30496984 0.82 PARP1 (0.45) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351685 0.82 PARP1 (0.40) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351684 0.81 PARP1 (0.40) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30936963 0.81 PARP1 (0.45) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30352049 0.79 PARP1 (0.38) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30352160 0.79 PARP1 (0.38) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351634 0.78 PARP1 (0.39) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30212434 0.75 PARP1 (0.49) PARP1HTR2BHTR3EHTR3BHTR3A

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-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 — — CN disclosed
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