SCHEMBL30459712

SCHEMBL30459712

O=C1c2cccc(CN3CC4CC3CN4)c2CN1C1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 10/20 0.43
▸ HTR2C P28335 10/20 0.43
▸ HTR2A P28223 7/20 0.43
▸ PARP1 P09874 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 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 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CRBN Q96SW2 3/20 0.33
▸ IKZF1 Q13422 2/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ IL1B P01584 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ IKZF3 Q9UKT9 1/20 0.32

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
SCHEMBL30458630 0.92 HTR2B (0.43) HTR2BHTR2CHTR2APARP1HTR3A
SCHEMBL30458591 0.85 HTR2B (0.47) HTR2BHTR2CHTR2APARP1HTR3A
SCHEMBL30458971 0.84 HTR2B (0.44) HTR2BHTR2CHTR2APARP1HTR3A
SCHEMBL30458409 0.82 HTR2B (0.44) HTR2BHTR2CHTR2APARP1HTR3A
SCHEMBL30458453 0.81 HTR2B (0.47) HTR2BHTR2CHTR2APARP1HTR3A
SCHEMBL25421672 0.81 CRBN (0.36) HTR2BHTR2CHTR2AMAPK1CRBN
SCHEMBL30459956 0.80 HTR2B (0.50) HTR2BHTR2CHTR2APARP1HTR3A
SCHEMBL30458967 0.80 PARP1 (0.42) HTR2BHTR2CHTR2APARP1HTR3A
SCHEMBL25647076 0.80 CRBN (0.58) CRBNIKZF1CSNK1A1BRD4TNF
SCHEMBL30459293 0.78 HTR2B (0.47) HTR2BHTR2CHTR2APARP1HTR3A

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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