SCHEMBL30351634

SCHEMBL30351634

O=C1c2ccc(N3CC4CCC3CN4)c(F)c2CN1C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTR2B P41595 14/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ HTR2C P28335 13/20 0.36
▸ HTR2A P28223 8/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CDK4 P11802 1/20 0.32
▸ IKZF2 Q9UKS7 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
SCHEMBL30351659 0.93 PARP1 (0.39) PARP1MAPK1HTR2BHTR3EHTR3B
SCHEMBL30351852 0.86 MAPK1 (0.40) PARP1MAPK1HTR2BHTR3EHTR3B
SCHEMBL30352049 0.84 PARP1 (0.38) PARP1MAPK1HTR2BHTR3EHTR3B
SCHEMBL30351685 0.84 PARP1 (0.40) PARP1MAPK1HTR2BHTR3EHTR3B
SCHEMBL30351948 0.84 PARP1 (0.37) PARP1MAPK1HTR2BHTR3EHTR3B
SCHEMBL30351836 0.84 PARP1 (0.44) PARP1MAPK1HTR2BHTR3EHTR3B
SCHEMBL30351773 0.84 PARP1 (0.37) PARP1MAPK1HTR2BHTR3EHTR3B
SCHEMBL30352409 0.83 PARP1 (0.41) PARP1MAPK1HTR2BHTR3EHTR3B
SCHEMBL30352160 0.82 PARP1 (0.38) PARP1MAPK1HTR2BHTR3EHTR3B
SCHEMBL26133203 0.81 MAPK1 (0.36) MAPK1CHRNB2CHRNA4IKZF2

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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