SCHEMBL6249263

SCHEMBL6249263

CCOC(=O)CCc1ccc2c(c1)[C@@H](NC)CC[C@H]2c1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.68
SLC6A2 P23975 17/20 0.68
SLC6A3 Q01959 17/20 0.68
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
MLNR O43193 1/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
CYP1A2 P05177 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
ABCB1 P08183 1/20 0.55
ADRB1 P08588 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
CHRM5 P08912 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55

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
SCHEMBL6249265 1.00 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6249267 1.00 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6248508 0.88 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6248501 0.88 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6248505 0.88 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6250587 0.86 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6250584 0.86 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6250581 0.86 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6250535 0.84 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6251552 0.83 SLC6A4 (0.72) 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