SCHEMBL30351579

SCHEMBL30351579

O=C1c2cccc(N3C[C@H]4CC[C@@H](C3)N4)c2CN1C1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.43
▸ HTR2B P41595 13/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ HTR2C P28335 13/20 0.41
▸ HTR2A P28223 6/20 0.41
▸ CDK4 P11802 1/20 0.38
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL30070147 0.85 HTR2B (0.51) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30352049 0.85 PARP1 (0.38) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30936926 0.85 HTR2B (0.44) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30351877 0.83 PARP1 (0.43) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30458409 0.82 HTR2B (0.44) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30352321 0.82 PARP1 (0.47) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30352160 0.81 PARP1 (0.38) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL31129783 0.79 HTR2B (0.43) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30352171 0.79 PARP1 (0.38) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL660471 0.78 HTR2B (0.62) PARP1HTR2BHTR3AHTR3EHTR3B

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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