SCHEMBL4448676

SCHEMBL4448676

CCCC(F)OC(=O)N1CCC(COc2ccc(C(=O)OC)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
GPR119 Q8TDV5 10/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4441455 0.85 SLC6A2 (0.46) GPR119SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL631819 0.79 DRD2 (0.52) DRD2DRD4CYP4F2CYP4A11ALDH1A1
SCHEMBL15538226 0.79 DRD2 (0.45) DRD2DRD4SLC6A2SLC6A4SLC6A3
SCHEMBL241130 0.78 GPR119 (0.59) GPR119ALDH1A1
SCHEMBL31330775 0.76 GPR119 (0.54) DRD2DRD4GPR119ALDH1A1
SCHEMBL927657 0.76 PARP15 (0.66) DRD2DRD4MEN1KMT2A
SCHEMBL15537887 0.74 SSTR5 (0.45) DRD2DRD4ALDH1A1TP53
SCHEMBL389145 0.74 GPR119 (0.57) GPR119
SCHEMBL15539028 0.74 DRD2 (0.46) DRD2DRD4TP53
SCHEMBL4440020 0.74 SRD5A1 (0.49) ALDH1A1KMT2A

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-2010479-A1 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2009-01-07 EP disclosed
WO-2007115935-A1 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-18 WO disclosed