SCHEMBL30936963

SCHEMBL30936963

Nc1c(F)ccc2c1CN(C1CCCNC1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.45
▸ HTR2B P41595 16/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ HTR2C P28335 15/20 0.37
▸ HTR2A P28223 10/20 0.37
▸ BMPR1A P36894 1/20 0.36
▸ ACVRL1 P37023 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36

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
SCHEMBL30351890 0.81 PARP1 (0.40) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30720892 0.81 PARP1 (0.42) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30496984 0.80 PARP1 (0.45) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30698072 0.80 HTR2B (0.62) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30376302 0.80 HTR2B (0.62) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL660471 0.80 HTR2B (0.62) PARP1HTR2BHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL28593152 0.79 HTR2B (0.60) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351980 0.79 PARP1 (0.38) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30351852 0.78 MAPK1 (0.40) PARP1HTR2BHTR3EHTR3BHTR3A
SCHEMBL30459786 0.78 PARP1 (0.43) 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-2024072178-A1 COMPOUND FOR TARGETED PROTEIN DEGRADATION, AND USE THEREOF (주)사이러스테라퓨틱스 2024-04-04 — — WO disclosed
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