SCHEMBL9130856

SCHEMBL9130856

COc1ccccc1OC1CCCN1CCCCN1c2cccc3cccc(c23)S1(O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 8/20 0.48
▸ DRD2 P14416 5/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ HTR2A P28223 3/20 0.42
▸ HTR6 P50406 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD5 P21918 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
SCHEMBL9130860 0.89 HTR7 (0.62) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9132091 0.81 HTR7 (0.52) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9132049 0.80 HTR7 (0.50) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9131075 0.77 HTR7 (0.45) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9131038 0.71 HTR7 (0.44) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9132098 0.70 HTR7 (0.67) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9134162 0.69 HTR7 (0.42) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9132055 0.69 HTR7 (0.65) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9131871 0.68 DRD2 (0.43) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9131062 0.67 DRD2 (0.41) HTR7DRD2DRD4

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
US-5453437-A 1,3-disubstituted pyrrolidines BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 — — US disclosed
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