SCHEMBL5709381

SCHEMBL5709381

COc1ccc(C2(CCO)CCc3cc(Cl)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 2/20 0.38
HSD17B3 P37058 1/20 0.37
KDM1A O60341 2/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
DRD1 P21728 2/20 0.35
DRD2 P14416 1/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5709383 0.89 KCNA5 (0.44) KCNA5SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL5709406 0.86 KCNA5 (0.43) KCNA5SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL5709345 0.85 KCNA5 (0.42) KCNA5SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL5709474 0.83 AR (0.40) KCNA5ALDH1A1SMN1; SMN2ARKDM1A
SCHEMBL5709523 0.83 KCNA5 (0.45) KCNA5SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL5709343 0.82 KDM1A (0.46) SLC6A2SLC6A3SMN1; SMN2ARKDM1A
SCHEMBL5709521 0.79 KDM1A (0.42) SLC6A2SLC6A4SLC6A3KDM1ADRD2
SCHEMBL5709387 0.79 KDM1A (0.42) SLC6A2SLC6A4SLC6A3KDM1ADRD2
SCHEMBL5709440 0.79 BCHE (0.41) KCNA5ALDH1A1SMN1; SMN2ARHSD17B3
SCHEMBL5709486 0.79 BCHE (0.41) KCNA5ALDH1A1SMN1; SMN2ARHSD17B3

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