SCHEMBL11238860

SCHEMBL11238860

O[C@H]1CCNCC[C@@H]1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.51
SLC6A4 P31645 13/20 0.51
SLC6A3 Q01959 13/20 0.51
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
P2RX7 Q99572 1/20 0.39
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPY4R P50391 1/20 0.37
NPY5R Q15761 1/20 0.37
TACR1 P25103 1/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37

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
SCHEMBL11238871 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL11238867 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL11245194 0.90 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL11245201 0.90 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL11245188 0.90 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL942585 0.79 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL31128128 0.79 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL11231647 0.79 NPY1R (0.40) NPY1RNPY2RNPY4RNPY5R
SCHEMBL11231642 0.79 NPY1R (0.40) NPY1RNPY2RNPY4RNPY5R
SCHEMBL11231652 0.79 NPY1R (0.40) NPY1RNPY2RNPY4RNPY5R

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-4320137-A Derivatives of perhydro-aza-heterocycles CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4246269-A Antidepressant piperidinones CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed