SCHEMBL25330438

SCHEMBL25330438

CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(C3CCN(c4ccc(C#N)c(Br)c4)CC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 9/20 0.45
▸ HRH1 P35367 9/20 0.45
▸ EPHX2 P34913 3/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.44
▸ NSD2 O96028 1/20 0.42
▸ EHMT2 Q96KQ7 1/20 0.42
▸ RET P07949 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL30493265 1.00 HRH2 (0.45) HRH2HRH1EPHX2HRH3NSD2
SCHEMBL30493283 0.91 HRH2 (0.45) HRH2HRH1EPHX2HRH3NSD2
SCHEMBL30493223 0.89 HRH2 (0.43) HRH2HRH1EPHX2HRH3RET
SCHEMBL25933822 0.85 AR (0.47) RETKCNH2
SCHEMBL25933930 0.82 HRH3 (0.51) HRH2HRH1HRH3CYP3A4CYP2C9
SCHEMBL30493235 0.79 AR (0.43) NSD2EHMT2RETGPR119
SCHEMBL25330446 0.79 AR (0.43) NSD2EHMT2RETGPR119
SCHEMBL23703842 0.79 ALDH1A1 (0.52) RETKCNH2GPR119
SCHEMBL25929486 0.79 GPR119 (0.51) RETGPR119
SCHEMBL30493231 0.77 AR (0.45) EPHX2KCNH2

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-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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