SCHEMBL30352383

SCHEMBL30352383

O=C1c2cc(F)c(N3CC4CC3CN4)c(F)c2CN1C1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ HTR2B P41595 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CHRNB2 P17787 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTR2C P28335 1/20 0.32

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
SCHEMBL30351973 0.93 PARP1 (0.36) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351773 0.93 PARP1 (0.37) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351578 0.86 PARP1 (0.39) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351955 0.86 PARP1 (0.37) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351668 0.86 PARP1 (0.41) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351659 0.84 PARP1 (0.39) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351930 0.84 PARP1 (0.37) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351896 0.84 PARP1 (0.36) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351569 0.82 PARP1 (0.38) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351551 0.82 PARP1 (0.36) 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
WO-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 — — WO claimed
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