SCHEMBL30351980

SCHEMBL30351980

O=C1c2ccc(F)c(N3CC4CC(C3)N4)c2CN1C1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ HTR2B P41595 17/20 0.35
▸ HTR2C P28335 16/20 0.35
▸ HTR2A P28223 12/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL30352159 0.87 PARP1 (0.35) PARP1MAPK1HTR2BHTR2CHTR2A
SCHEMBL30352160 0.85 PARP1 (0.38) PARP1MAPK1HTR2BHTR2CHTR2A
SCHEMBL30351896 0.85 PARP1 (0.36) PARP1MAPK1HTR2BHTR2CHTR2A
SCHEMBL30351890 0.84 PARP1 (0.40) PARP1MAPK1HTR2BHTR2CHTR2A
SCHEMBL30351578 0.84 PARP1 (0.39) PARP1MAPK1HTR2BHTR2CHTR2A
SCHEMBL30352254 0.83 PARP1 (0.40) PARP1HTR2BHTR2CHTR3AHTR3E
SCHEMBL30351852 0.82 MAPK1 (0.40) PARP1MAPK1HTR2BHTR2CHTR2A
SCHEMBL30352202 0.81 PARP1 (0.42) PARP1HTR2BHTR2CHTR2AHTR3A
SCHEMBL30351551 0.81 PARP1 (0.36) PARP1MAPK1HTR2BHTR2CHTR2A
SCHEMBL30352049 0.81 PARP1 (0.38) PARP1MAPK1HTR2BHTR2CHTR2A

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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