SCHEMBL25329713

SCHEMBL25329713

N#Cc1ccc(N2CCC(c3ccc(OCCCCBr)cc3)CC2)cc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 14/20 0.40
▸ KCNH2 Q12809 4/20 0.40
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CYP2C9 P11712 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ FAAH O00519 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ DRD5 P21918 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35

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
SCHEMBL25428287 0.90 HRH3 (0.42) HRH3KCNH2HRH2HRH1CYP2C9
SCHEMBL31131387 0.86 AR (0.42) —
SCHEMBL25931177 0.86 AR (0.42) —
SCHEMBL25936817 0.86 HRH3 (0.38) HRH3KCNH2HRH2HRH1CYP2C9
SCHEMBL25330085 0.85 AR (0.41) —
SCHEMBL25330466 0.85 AR (0.41) —
SCHEMBL25927587 0.85 HRH3 (0.41) HRH3KCNH2CYP2C9CYP3A4FAAH
SCHEMBL25936819 0.85 AR (0.41) —
SCHEMBL31131417 0.83 HRH3 (0.52) HRH3KCNH2HRH2HRH1CYP2C9
SCHEMBL25933991 0.83 HRH3 (0.52) HRH3KCNH2HRH2HRH1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466260-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2024-11-27 — — EP disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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