SCHEMBL5709374

SCHEMBL5709374

COc1ccc2c(c1)CCC2(CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
AR P10275 2/20 0.46
UTS2R Q9UKP6 1/20 0.43
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD1 P21728 2/20 0.41
DRD2 P14416 1/20 0.41
KDM1A O60341 1/20 0.40
HSD11B1 P28845 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5709523 0.93 KCNA5 (0.45) SLC6A2SLC6A4SLC6A3ARUTS2R
SCHEMBL5709426 0.87 ALDH1A1 (0.43) SLC6A2SLC6A4SLC6A3UTS2RALDH1A1
SCHEMBL27660700 0.86 HSD11B1 (0.42) ALDH1A1KDM1AHSD11B1
SCHEMBL27680729 0.86 HSD11B1 (0.42) ALDH1A1KDM1AHSD11B1
SCHEMBL5709364 0.86 HSD11B1 (0.42) ALDH1A1KDM1AHSD11B1
SCHEMBL5709480 0.84 UTS2R (0.45) SLC6A2SLC6A4SLC6A3ARUTS2R
SCHEMBL5709379 0.82 HSD11B1 (0.39) ARALDH1A1HSD11B1
SCHEMBL5709459 0.82 HSD11B1 (0.39) ARALDH1A1HSD11B1
SCHEMBL27680727 0.82 HSD11B1 (0.39) ARALDH1A1HSD11B1
SCHEMBL5709378 0.82 HSD11B1 (0.41) ALDH1A1DRD2HSD11B1

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