SCHEMBL30352186

SCHEMBL30352186

O=C1c2cc(F)c(N3C4CNCC3C4)cc2CN1C1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.42
▸ HTR2B P41595 14/20 0.37
▸ HTR2C P28335 14/20 0.37
▸ CRBN Q96SW2 1/20 0.35
▸ HTR2A P28223 10/20 0.35
▸ HTR3A P46098 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 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

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
SCHEMBL30351858 0.94 PARP1 (0.43) PARP1HTR2BHTR2CCRBNHTR2A
SCHEMBL30351304 0.84 PARP1 (0.40) PARP1HTR2BHTR2CCRBNHTR2A
SCHEMBL30352275 0.82 PARP1 (0.47) PARP1HTR2BHTR2CHTR2AHTR3A
SCHEMBL30351413 0.82 PARP1 (0.40) PARP1HTR2BHTR2CCRBNHTR2A
SCHEMBL30352057 0.81 PARP1 (0.41) PARP1HTR2BHTR2CCRBNHTR2A
SCHEMBL30349646 0.80 PARP1 (0.39) PARP1HTR2BHTR2CCRBNHTR2A
SCHEMBL30351742 0.80 PARP1 (0.38) PARP1HTR2BHTR2CHTR2AHTR3A
SCHEMBL30351569 0.80 PARP1 (0.38) PARP1HTR2BHTR2CHTR2AHTR3A
SCHEMBL30790527 0.80 PARP1 (0.42) PARP1HTR2BHTR2CCRBNHTR2A
SCHEMBL26133460 0.79 CRBN (0.31) PARP1CRBN

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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