SCHEMBL30351948

SCHEMBL30351948

O=C1c2cc(F)cc(N3CC4CCC3CN4)c2CN1C1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.37
▸ HTR2B P41595 9/20 0.34
▸ HTR2C P28335 8/20 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
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ HTR6 P50406 2/20 0.31
▸ HTR2A P28223 2/20 0.30
▸ AXL P30530 1/20 0.30
▸ MERTK Q12866 1/20 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
SCHEMBL30351930 0.93 PARP1 (0.37) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30351634 0.84 PARP1 (0.39) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30351773 0.84 PARP1 (0.37) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30352306 0.83 PARP1 (0.41) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30351955 0.83 PARP1 (0.37) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30352171 0.82 PARP1 (0.38) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30352057 0.82 PARP1 (0.41) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30351742 0.81 PARP1 (0.38) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30352409 0.81 PARP1 (0.41) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL26133806 0.81 MAPK1 (0.31) MAPK1CHRNB2CHRNA4

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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