SCHEMBL30352331

SCHEMBL30352331

O=C1c2cc(F)c(F)c(N3C4CNCC3C4)c2CN1C1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ HTR2B P41595 6/20 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
▸ MAPK1 P28482 1/20 0.33
▸ HTR2C P28335 5/20 0.32
▸ BMPR1A P36894 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ HTR2A P28223 2/20 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
SCHEMBL30351569 0.92 PARP1 (0.38) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30352141 0.87 PARP1 (0.38) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351890 0.86 PARP1 (0.40) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30352159 0.84 PARP1 (0.35) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351973 0.83 PARP1 (0.36) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351906 0.81 PARP1 (0.42) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351742 0.81 PARP1 (0.38) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351955 0.81 PARP1 (0.37) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351802 0.81 PARP1 (0.36) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30352047 0.80 PARP1 (0.41) 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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