SCHEMBL31282297

SCHEMBL31282297

Cn1c(=O)n(C2CCCNC2)c2ccc(CCCCC3CCNCC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 9/20 0.39
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ DDB1 Q16531 2/20 0.37
▸ CRBN Q96SW2 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HDAC1 Q13547 2/20 0.35
▸ KHK P50053 1/20 0.34
▸ HPD P32754 2/20 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
SCHEMBL30225615 0.93 KHK (0.40) DDB1CRBNDRD2SLC6A4HDAC1
SCHEMBL26634973 0.87 DDB1 (0.39) DDB1CRBNDRD2SLC6A4HDAC1
SCHEMBL30733897 0.87 DDB1 (0.40) DDB1CRBNDRD2SLC6A4HDAC1
SCHEMBL26635076 0.86 DDB1 (0.38) DDB1CRBNDRD2SLC6A4HDAC1
SCHEMBL29172794 0.86 DDB1 (0.38) DDB1CRBNDRD2SLC6A4HDAC1
SCHEMBL30225575 0.86 HDAC1 (0.40) DDB1CRBNDRD2SLC6A4HDAC1
SCHEMBL31282399 0.86 DDB1 (0.38) DDB1CRBNDRD2SLC6A4HDAC1
SCHEMBL29991433 0.86 DDB1 (0.39) DDB1CRBNDRD2SLC6A4HDAC1
SCHEMBL30225594 0.85 NMT1 (0.39) NMT1DDB1CRBNDRD2SLC6A4
SCHEMBL31282427 0.85 DRD2 (0.41) DDB1CRBNDRD2SLC6A4HPD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731309-A1 KRAS PROTEOLYSIS TARGETING CHIMERAS Paq Therapeutics Inc. (US) 2026-04-29 — — EP disclosed
WO-2024263586-A1 KRAS PROTEOLYSIS TARGETING CHIMERAS PAQ Therapeutics Inc. (US) 2024-12-26 — — WO disclosed
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