SCHEMBL30002807

SCHEMBL30002807

O=C1c2ccc(N3CC4CNCC4C3)cc2CN1C1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
HTR2B P41595 12/20 0.39
HTR2C P28335 11/20 0.39
HTR2A P28223 10/20 0.39
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
BPTF Q12830 1/20 0.36
MAPK1 P28482 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
SCHEMBL29966331 0.86 PARP1 (0.46) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL26625271 0.86 PARP1 (0.46) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL29966514 0.86 PARP1 (0.46) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30790499 0.85 PARP1 (0.47) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30351677 0.83 PARP1 (0.43) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30702593 0.82 PARP1 (0.44) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30801290 0.81 PARP1 (0.40) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL32664871 0.81 PARP1 (0.41) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30595369 0.79 PARP1 (0.42) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30212434 0.79 PARP1 (0.49) PARP1HTR2BHTR2CHTR2AHTR3E

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-2022253283-A1 PROTEIN KINASE DEGRADANT AND USE THEREOF 中国科学院上海有机化学研究所 2022-12-08 WO disclosed