SCHEMBL30458379

SCHEMBL30458379

O=C1c2ccc(CN3CC4CCC(C3)N4)cc2CN1C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 12/20 0.44
▸ HTR2C P28335 11/20 0.44
▸ HTR2A P28223 9/20 0.44
▸ PARP1 P09874 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ IKZF2 Q9UKS7 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ IKZF1 Q13422 2/20 0.33
▸ MTR Q99707 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
SCHEMBL30459129 0.96 HTR2B (0.44) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30790468 0.87 HTR2C (0.51) HTR2BHTR2CHTR2APARP1IKZF2
SCHEMBL30459092 0.87 HTR2C (0.47) HTR2BHTR2CHTR2APARP1IKZF2
SCHEMBL30459017 0.84 HTR2C (0.46) HTR2BHTR2CHTR2APARP1IKZF2
SCHEMBL30459034 0.84 PARP1 (0.42) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30459711 0.84 HTR2B (0.47) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30459947 0.83 HTR2B (0.46) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL25235039 0.82 HTR2B (0.49) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL2333387 0.82 HTR2B (0.49) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30132224 0.82 HTR2B (0.49) 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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