SCHEMBL31131390

SCHEMBL31131390

N#Cc1ccc(N2CCC(c3ccc(OCCCN4CCNCC4)cc3)CC2)cc1C(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.48
▸ HRH1 P35367 6/20 0.48
▸ HRH2 P25021 5/20 0.48
▸ SLC2A1 P11166 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KCNH2 Q12809 4/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL25934061 1.00 HRH3 (0.48) HRH3HRH1HRH2SLC2A1HTR1A
SCHEMBL25933991 0.87 HRH3 (0.52) HRH3HRH1HRH2SLC2A1HTR1A
SCHEMBL31131417 0.87 HRH3 (0.52) HRH3HRH1HRH2SLC2A1HTR1A
SCHEMBL25933930 0.86 HRH3 (0.51) HRH3HRH1HRH2SLC2A1HTR1A
SCHEMBL25438108 0.86 HRH3 (0.44) HRH3HRH1HRH2HTR1ADRD2
SCHEMBL30493223 0.82 HRH2 (0.43) HRH3HRH1HRH2
SCHEMBL25329631 0.81 AR (0.43) HRH3HRH1HRH2SLC2A1KCNH2
SCHEMBL25330105 0.75 AR (0.39) —
SCHEMBL25330053 0.75 AR (0.44) HRH3HRH1HRH2
SCHEMBL25933903 0.74 HRH3 (0.66) HRH3HRH1HRH2SLC2A1HTR1A

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
CN-118574821-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2024-08-30 — — CN disclosed
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