SCHEMBL25608428

SCHEMBL25608428

CCCCOCCc1ccc(N2CCN(C(C)C)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 17/20 0.47
▸ ME2 P23368 1/20 0.45
▸ ME1 P48163 1/20 0.45
▸ ME3 Q16798 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.37
▸ AOC3 Q16853 1/20 0.36

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
SCHEMBL21455986 0.89 HRH3 (0.47) HRH3
SCHEMBL22792263 0.79 HRH3 (0.51) HRH3
SCHEMBL21421553 0.76 AOC3 (0.37) HRH3ME2ME1ME3GPR119
SCHEMBL24421697 0.75 HRH3 (0.65) HRH3
SCHEMBL21933955 0.73 HRH3 (0.48) HRH3AOC3
SCHEMBL21673748 0.73 AOC3 (0.38) HRH3ME2ME1ME3GPR119
SCHEMBL21477154 0.72 DRD3 (0.49) HRH3ME2ME1ME3
SCHEMBL19891711 0.72 AOC3 (0.52) HRH3ME2ME1ME3AOC3
SCHEMBL9366521 0.71 HRH3 (0.65) HRH3ME2ME1ME3
SCHEMBL20230946 0.70 DRD3 (0.52) ME2ME1ME3

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-2023096987-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2023-06-01 — — WO disclosed
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