SCHEMBL30459293

SCHEMBL30459293

O=C1c2cccc(CN3CC(N4CCNCC4)C3)c2CN1C1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 17/20 0.47
▸ HTR2C P28335 17/20 0.47
▸ HTR2A P28223 12/20 0.47
▸ PARP1 P09874 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ CDK4 P11802 1/20 0.37

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
SCHEMBL30459137 0.88 HTR2B (0.47) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30458971 0.86 HTR2B (0.44) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30458409 0.86 HTR2B (0.44) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL31076554 0.84 HTR2B (0.47) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30936926 0.83 HTR2B (0.44) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30458453 0.81 HTR2B (0.47) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL25423775 0.81 HTR2C (0.39) HTR2BHTR2CHTR2APARP1
SCHEMBL25647443 0.81 CRBN (0.57) —
SCHEMBL30458591 0.81 HTR2B (0.47) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30459956 0.80 HTR2B (0.50) HTR2BHTR2CHTR2APARP1HTR3E

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO claimed
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