SCHEMBL5709391

SCHEMBL5709391

CC(C(=O)O)N(C)CCCC1(c2ccc(Cl)c(Cl)c2)CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.45
TACR1 P25103 2/20 0.40
TACR2 P21452 1/20 0.40
TACR3 P29371 1/20 0.40
UTS2R Q9UKP6 1/20 0.37
LMNA P02545 1/20 0.37
SLC6A9 P48067 3/20 0.36
BCHE P06276 4/20 0.36
KIF11 P52732 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 4/20 0.34
KCNH2 Q12809 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL468350 0.83 BCHE (0.44) UTS2RSLC6A9BCHEKIF11
SCHEMBL468349 0.83 BCHE (0.44) UTS2RSLC6A9BCHEKIF11
Hydrochloric Acid SCHEMBL6167375 0.82 BCHE (0.44) UTS2RSLC6A9BCHEKIF11
Hydrochloric Acid SCHEMBL6167370 0.82 BCHE (0.44) UTS2RSLC6A9BCHEKIF11
SCHEMBL5709385 0.80 BCHE (0.42) SLC6A9BCHE
SCHEMBL5709469 0.80 BCHE (0.42) SLC6A9BCHE
SCHEMBL5709407 0.80 BCHE (0.39) SLC6A9BCHEKIF11KCNH2
SCHEMBL5709526 0.80 BCHE (0.47) SLC6A4LMNASLC6A9BCHEKIF11
SCHEMBL5709449 0.79 SLC6A4 (0.42) SLC6A4TACR1TACR2TACR3SLC6A2
SCHEMBL5709486 0.78 BCHE (0.41) UTS2RSLC6A9BCHEKIF11

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 4 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 claimed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO claimed
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