SCHEMBL4637598

SCHEMBL4637598

CC(=O)Oc1cccc(CN(C(C)C)C2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.55
PPARG P37231 10/20 0.55
PPARA Q07869 5/20 0.55
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4637576 0.89 PPARD (0.55) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334519 0.86 PPARD (0.62) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334683 0.85 PPARG (0.53) PPARDPPARGPPARANPC1RAB9A
SCHEMBL4638656 0.83 PPARD (0.49) PPARDPPARGPPARANPC1RAB9A
SCHEMBL27727139 0.81 NPC1 (0.48) PPARDPPARGPPARANPC1RAB9A
SCHEMBL335857 0.81 NPC1 (0.55) PPARDPPARGPPARANPC1RAB9A
SCHEMBL27878983 0.81 PPARG (0.64) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10221033 0.76 PPARD (0.59) PPARDPPARGPPARANPC1RAB9A
SCHEMBL14143957 0.75 PPARG (0.51) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10221037 0.75 PPARD (0.60) PPARDPPARGPPARANPC1RAB9A

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
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed