SCHEMBL5709461

SCHEMBL5709461

CN(CCCC1(c2ccc(F)cc2)CCc2cc(F)ccc21)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.52
SLC6A9 P48067 2/20 0.41
SLC6A4 P31645 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KIF11 P52732 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
SCHEMBL5709422 0.87 SLC6A9 (0.42) BCHESLC6A9
SCHEMBL468506 0.85 SLC6A9 (0.43) BCHESLC6A9SLC6A4
Hydrochloric Acid SCHEMBL6169128 0.84 SLC6A9 (0.43) BCHESLC6A9SLC6A4
SCHEMBL5709334 0.82 BCHE (0.40) BCHESLC6A9SLC6A4KIF11
SCHEMBL5709423 0.79 BCHE (0.47) BCHE
SCHEMBL5709384 0.78 SLC6A9 (0.47) BCHESLC6A9
SCHEMBL5709433 0.78 SLC6A9 (0.47) BCHESLC6A9
SCHEMBL24750180 0.77 BCHE (0.63) BCHESLC6A4
SCHEMBL5709349 0.77 BCHE (0.48) BCHESLC6A4
SCHEMBL5709478 0.77 BCHE (0.42) BCHESLC6A9

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