SCHEMBL25608484

SCHEMBL25608484

CN1CCN(c2ccc(CCO[C@H]3C[C@H](OI)C3)cn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ DRD5 P21918 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ME2 P23368 3/20 0.34
▸ ME1 P48163 3/20 0.34
▸ ME3 Q16798 3/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL8281445 0.74 HRH4 (0.46) AOC3HTR3ADRD2DRD1DRD5
SCHEMBL6222902 0.73 AOC3 (0.46) AOC3HTR3ADRD2DRD1DRD5
SCHEMBL2759552 0.71 HRH4 (0.49) HTR3ADRD2DRD1DRD5DRD3
SCHEMBL26972357 0.70 RET (0.37) DRD2DRD1DRD5DRD3HTR1A
SCHEMBL21673537 0.70 AOC3 (0.35) AOC3DRD2DRD1DRD5DRD3
SCHEMBL12675278 0.70 HTR3A (0.47) AOC3HTR3ADRD2DRD1DRD5
SCHEMBL19003513 0.70 HTR3A (0.47) HTR3ADRD2DRD1DRD5DRD3
SCHEMBL11988947 0.70 SMO (0.52) AOC3HTR3ADRD2DRD1DRD5
SCHEMBL5122324 0.70 HTR3A (0.47) HTR3ADRD2DRD1DRD5DRD3
SCHEMBL25156908 0.69 HTR3A (0.44) AOC3HTR3ADRD2DRD1DRD5

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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