SCHEMBL4614768

SCHEMBL4614768

CC(C)c1ccn(Cc2ccc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
PDE2A O00408 3/20 0.40
FAAH O00519 1/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
DAO P14920 1/20 0.36
P2RX7 Q99572 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CASR P41180 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CCR2 P41597 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4613363 0.81 NPC1 (0.39) PPARGPDE2AFAAHDAOP2RX7
SCHEMBL3205336 0.78 PPARG (0.57) PPARGPDE2AFAAHKCNJ6KCNJ5
SCHEMBL3206847 0.77 PPARG (0.49) PPARGPDE2AFAAHKCNJ6KCNJ5
SCHEMBL4613928 0.76 NPC1 (0.54) PPARGFAAHKCNJ6KCNJ5KCNJ3
SCHEMBL5120324 0.74 PPARG (0.61) PPARGPDE2AKCNJ6KCNJ5KCNJ3
SCHEMBL3195607 0.72 PPARG (0.66) PPARGKCNJ6KCNJ5KCNJ3PTGDR2
SCHEMBL3204752 0.72 PPARG (0.54) PPARGFAAHKCNJ6KCNJ5KCNJ3
SCHEMBL3204742 0.72 PPARG (0.54) PPARGFAAHKCNJ6KCNJ5KCNJ3
SCHEMBL3220124 0.72 PPARG (0.51) PPARGKCNJ6KCNJ5KCNJ3PTGDR2
SCHEMBL27737192 0.70 PPARG (0.63) PPARGKCNJ6KCNJ5KCNJ3PTGDR2

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed