SCHEMBL9131075

SCHEMBL9131075

COc1ccccc1OC1CCN(CCN2c3cccc4cccc(c34)S2(O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.45
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 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
SCHEMBL9132091 0.94 HTR7 (0.52) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9132049 0.94 HTR7 (0.50) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9131062 0.89 DRD2 (0.41) HTR7DRD2MCHR1
SCHEMBL9131080 0.89 HTR7 (0.59) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9134162 0.84 HTR7 (0.42) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9131038 0.84 HTR7 (0.44) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9132098 0.83 HTR7 (0.67) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9132055 0.83 HTR7 (0.65) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9131871 0.81 DRD2 (0.43) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9131814 0.80 HTR1A (0.47) HTR7HTR1ADRD2HTR2AHTR6

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
US-5453437-A 1,3-disubstituted pyrrolidines BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 — — US disclosed
US-5274097-A A 1-N-heterocyclic alkylene-3-carbo or heterocyclic ring oxypyrrolidine derivative BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 — — US disclosed
US-5037841-A For treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-08-06 — — US disclosed
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