SCHEMBL28700561

SCHEMBL28700561

[CH2][C@@H](N)c1ccc(SCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.53
MAOA P21397 5/20 0.53
MAOB P27338 3/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PTGS2 P35354 1/20 0.33

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
SCHEMBL346860 0.76 SLC6A4 (0.56) SLC6A4MAOAMAOB
SCHEMBL17688579 0.76 SLC6A4 (0.50) SLC6A4MAOAMAOBHTR2AHTR2C
SCHEMBL17688578 0.76 SLC6A4 (0.50) SLC6A4MAOAMAOBHTR2AHTR2C
SCHEMBL13175896 0.76 SLC6A4 (0.53) SLC6A4MAOAMAOBPTGS2
SCHEMBL11076527 0.75 SLC6A4 (0.48) SLC6A4MAOA
SCHEMBL835786 0.75 SLC6A4 (0.53) SLC6A4MAOAHTR2AHTR2B
Hydrochloric Acid SCHEMBL17710304 0.75 SLC6A4 (0.49) SLC6A4MAOAMAOBHTR2AHTR2C
SCHEMBL20468698 0.75 SLC6A4 (0.53) SLC6A4MAOAMAOBHTR2AHTR2C
SCHEMBL20468699 0.75 SLC6A4 (0.53) SLC6A4MAOAMAOBHTR2AHTR2C
SCHEMBL17710314 0.73 SLC6A4 (0.47) SLC6A4MAOAMAOB

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
CN-108463458-B Modulators of ROR-gamma 生命医药有限责任公司 2022-02-01 CN disclosed