SCHEMBL4739366

SCHEMBL4739366

CNC(CC(Oc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1)OC(=O)C(=O)OC(CC(Oc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1)NC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.53
UTS2R Q9UKP6 4/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
NPC1 O15118 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MTOR P42345 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 2/20 0.45
SLC6A2 P23975 2/20 0.45
HTR2C P28335 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4739538 0.90 SLC6A9 (0.52) SLC6A9MEN1KMT2ALMNANPC1
SCHEMBL4736674 0.84 PDE2A (0.43) SLC6A9PPARAMEN1KMT2ALMNA
SCHEMBL3981 0.83 HTR1A (0.46) SLC6A9MEN1KMT2ALMNANPC1
SCHEMBL3555 0.80 OPRM1 (0.43) SLC6A9PPARGPPARAMEN1KMT2A
SCHEMBL10359727 0.79 SLC7A5 (0.52) SLC6A9PPARGPPARAMEN1KMT2A
SCHEMBL4786637 0.78 SLC6A4 (0.48) SLC6A9MEN1KMT2ALMNANPC1
Oxalic Acid SCHEMBL4739361 0.76 SLC6A4 (0.70) SLC6A9PPARGPPARAMEN1KMT2A
SCHEMBL3800 0.76 CACNA2D1 (0.39) PPARGPPARALMNASLC6A2SLC6A4
SCHEMBL4785574 0.75 SLC6A4 (0.76) SLC6A9MEN1KMT2ALMNANPC1
SCHEMBL16347642 0.74 SLC6A9 (0.47) SLC6A9PPARGPPARAMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008081477-A1 3-ARYLOXY 3-SUBSTITUTED PROPANAMINES NATCO PHARMA LIMITED (IN) 2008-07-10 WO disclosed