SCHEMBL30496990

SCHEMBL30496990

NCc1cc2c(cc1F)C(=O)N(C1CCCNC1)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.45
▸ HTR2B P41595 10/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ CRBN Q96SW2 1/20 0.36
▸ HTR2C P28335 10/20 0.35
▸ HTR2A P28223 9/20 0.35
▸ MAOA P21397 4/20 0.34
▸ TIPARP Q7Z3E1 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL30496977 0.86 PARP1 (0.45) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL23093009 0.80 PARP1 (0.43) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351858 0.80 PARP1 (0.43) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL2333387 0.79 HTR2B (0.49) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30352186 0.79 PARP1 (0.42) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30790527 0.79 PARP1 (0.42) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30496975 0.77 PARP1 (0.50) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30496984 0.77 PARP1 (0.45) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL16382727 0.77 PARP1 (0.49) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL21008766 0.77 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-116457344-A Low molecular weight protein degradation agent and application thereof 凯普托尔治疗学股份有限公司 2023-07-18 — — CN disclosed
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