SCHEMBL5709384

SCHEMBL5709384

CN(CC[C@@]1(c2ccc(Cl)cc2)CCc2cc(Cl)ccc21)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.47
BCHE P06276 2/20 0.39
SRD5A1 P18405 2/20 0.38
SRD5A2 P31213 2/20 0.38
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
UTS2R Q9UKP6 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
SCHEMBL5709433 1.00 SLC6A9 (0.47) SLC6A9BCHESRD5A1SRD5A2KDM1A
SCHEMBL468506 0.93 SLC6A9 (0.43) SLC6A9BCHESRD5A1SRD5A2KDM1A
Hydrochloric Acid SCHEMBL6169128 0.92 SLC6A9 (0.43) SLC6A9BCHESRD5A1SRD5A2KDM1A
SCHEMBL5709422 0.91 SLC6A9 (0.42) SLC6A9BCHE
SCHEMBL5709480 0.90 UTS2R (0.45) SLC6A9KDM1AALDH1A1UTS2R
SCHEMBL5709332 0.83 UTS2R (0.39) SLC6A9BCHEUTS2R
SCHEMBL5709334 0.82 BCHE (0.40) SLC6A9BCHE
SCHEMBL5709478 0.81 BCHE (0.42) SLC6A9BCHEALDH1A1UTS2R
SCHEMBL468350 0.81 BCHE (0.44) SLC6A9BCHESRD5A1SRD5A2KDM1A
SCHEMBL468349 0.81 BCHE (0.44) SLC6A9BCHESRD5A1SRD5A2KDM1A

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