SCHEMBL30351630

SCHEMBL30351630

O=C1c2c(F)cc(N3CC4CCC3CN4)cc2CN1C1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.46
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HTR2B P41595 9/20 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
▸ HTR2C P28335 8/20 0.32
▸ POLB P06746 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTR2A P28223 5/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ ESR2 Q92731 1/20 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
SCHEMBL30351393 0.93 PARP1 (0.45) PARP1CHRNB2CHRNA4
SCHEMBL30352021 0.84 PARP1 (0.44) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351817 0.84 PARP1 (0.47) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351514 0.84 PARP1 (0.46) PARP1CHRNB2CHRNA4HTR2BHTR3E
SCHEMBL30352272 0.82 PARP1 (0.44) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351708 0.82 PARP1 (0.41) PARP1CHRNB2CHRNA4HTR2BHTR3E
SCHEMBL30351699 0.81 PARP1 (0.47) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30352409 0.81 PARP1 (0.41) PARP1CHRNB2CHRNA4HTR2BHTR3E
SCHEMBL26132331 0.81 CHRNB2 (0.34) PARP1CHRNB2CHRNA4POLBMAPT
SCHEMBL30352057 0.80 PARP1 (0.41) PARP1CHRNB2CHRNA4HTR2BHTR3E

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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