SCHEMBL30225615

SCHEMBL30225615

Cn1c(=O)n(C2CCCNC2)c2ccc(CCC3CCNCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.40
▸ DDB1 Q16531 2/20 0.39
▸ CRBN Q96SW2 2/20 0.39
▸ SLC6A4 P31645 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HPD P32754 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ GNRHR P30968 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ THRB P10828 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
SCHEMBL31282297 0.93 NMT1 (0.39) KHKDDB1CRBNSLC6A4DRD2
SCHEMBL30733897 0.89 DDB1 (0.40) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL31282585 0.88 DDB1 (0.38) KHKDDB1CRBNSLC6A4DRD2
SCHEMBL31282427 0.87 DRD2 (0.41) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL29991433 0.84 DDB1 (0.39) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL26634973 0.83 DDB1 (0.39) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL28650168 0.83 NMT1 (0.40) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL31281909 0.83 DRD2 (0.41) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL30225575 0.82 HDAC1 (0.40) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL31282399 0.82 DDB1 (0.38) DDB1CRBNSLC6A4DRD2HPD

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
EP-4121043-A1 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-01-25 — — EP disclosed
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