SCHEMBL24372842

SCHEMBL24372842

CC(C)C(=O)COCCOCCN1CCN(C(=O)C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 10/20 0.43
▸ HRH1 P35367 10/20 0.43
▸ POLB P06746 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MTNR1B P49286 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ TEK Q02763 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL20317385 0.84 ALDH1A1 (0.40) HRH2HRH1SLC6A4ALDH1A1LMNA
SCHEMBL20317530 0.84 PIK3CD (0.44) HRH2HRH1SLC6A4ALDH1A1LMNA
SCHEMBL8404633 0.83 HRH2 (0.45) HRH2HRH1POLBRXFP1MTNR1B
SCHEMBL19599560 0.83 PAOX (0.42) HRH2HRH1POLBHRH3SLC6A4
SCHEMBL21105813 0.81 HSD11B1 (0.42) HRH2HRH1SLC6A4MAPTSLC6A2
SCHEMBL21456135 0.81 ALDH1A1 (0.40) HRH2HRH1SLC6A4ALDH1A1GAA
SCHEMBL21106222 0.80 HRH1 (0.35) HRH2HRH1SLC6A4SLC6A2HTR2A
SCHEMBL19598467 0.80 HRH1 (0.40) HRH2HRH1SLC6A4ALDH1A1LMNA
SCHEMBL4546642 0.78 HSD11B1 (0.51) HRH2HRH1POLBRXFP1MTNR1B
SCHEMBL26801063 0.76 HRH2 (0.44) HRH2HRH1POLBRXFP1MTNR1B

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-2022087216-A1 DOUBLE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-04-28 — — WO disclosed
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