SCHEMBL5709449

SCHEMBL5709449

OCCCC1(c2ccc(Cl)c(Cl)c2)CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.42
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
TACR3 P29371 1/20 0.41
SLC6A3 Q01959 13/20 0.39
SLC6A2 P23975 12/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5709439 0.87 SLC6A4 (0.42) SLC6A4TACR2TACR1TACR3SLC6A3
SCHEMBL5709391 0.79 SLC6A4 (0.45) SLC6A4TACR2TACR1TACR3SLC6A3
SCHEMBL5709328 0.72 KDM1A (0.37) SLC6A2
SCHEMBL5709388 0.72 BCHE (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL5709423 0.69 BCHE (0.47)
SCHEMBL5709380 0.69 BCHE (0.36)
SCHEMBL744195 0.68 ADRA2A (0.42)
SCHEMBL4784319 0.68 KDM1A (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL8706204 0.68 MEN1 (0.49) TACR2TACR1TACR3
SCHEMBL9545809 0.68 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed