SCHEMBL5709336

SCHEMBL5709336

COc1ccc(C2(CCCN(C)[C@@H](CC(C(=O)O)N(C)CCC3(c4ccc(Cl)cc4)CCc4cc(OC)ccc43)C(=O)O)CCc3cc(Cl)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.43
BCHE P06276 3/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
AR P10275 2/20 0.35
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 1/20 0.33
SLC6A9 P48067 1/20 0.33
KDM1A O60341 1/20 0.32
RAD52 P43351 1/20 0.32
DRD1 P21728 2/20 0.32
DRD2 P14416 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL5709440 0.86 BCHE (0.41) UTS2RBCHEARKCNA5ALDH1A1
SCHEMBL5709486 0.86 BCHE (0.41) UTS2RBCHEARKCNA5ALDH1A1
SCHEMBL5709434 0.86 BCHE (0.41) UTS2RBCHEARKCNA5ALDH1A1
SCHEMBL5709489 0.86 BCHE (0.41) UTS2RBCHEARKCNA5ALDH1A1
SCHEMBL5709332 0.85 UTS2R (0.39) UTS2RBCHESLC6A2SLC6A4SLC6A3
SCHEMBL5709480 0.80 UTS2R (0.45) UTS2RSLC6A2SLC6A4SLC6A3AR
SCHEMBL468350 0.80 BCHE (0.44) UTS2RBCHESLC6A9KDM1A
SCHEMBL468349 0.80 BCHE (0.44) UTS2RBCHESLC6A9KDM1A
Hydrochloric Acid SCHEMBL6167370 0.79 BCHE (0.44) UTS2RBCHESLC6A9KDM1A
Hydrochloric Acid SCHEMBL6167375 0.79 BCHE (0.44) UTS2RBCHESLC6A9KDM1A

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