SCHEMBL6250495

SCHEMBL6250495

CN[C@H]1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(CS(C)(=O)=O)cc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.77
SLC6A2 P23975 17/20 0.77
SLC6A3 Q01959 16/20 0.77
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NPC1 O15118 1/20 0.61
MLNR O43193 1/20 0.61
NR1I2 O75469 1/20 0.61
ABCB11 O95342 1/20 0.61
ESR1 P03372 1/20 0.61
CYP1A2 P05177 1/20 0.61
CHRM2 P08172 1/20 0.61
CHRM4 P08173 1/20 0.61
ABCB1 P08183 1/20 0.61
ADRB1 P08588 1/20 0.61
CYP3A4 P08684 1/20 0.61
HTR1A P08908 1/20 0.61
CHRM5 P08912 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61

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
SCHEMBL6250492 1.00 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6250489 1.00 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL13409764 1.00 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8363906 0.91 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6247166 0.88 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6247152 0.88 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6247156 0.88 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6244442 0.87 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6244447 0.87 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6244437 0.87 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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
EP-1157002-B1 1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-08-10 EP disclosed