SCHEMBL2652083

SCHEMBL2652083

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(CO)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 4/20 0.41
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
MGLL Q99685 1/20 0.38
PDE2A O00408 1/20 0.36
KIF11 P52732 1/20 0.36
PTGS2 P35354 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MCHR1 Q99705 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL2652751 0.80 TRPV3 (0.46) TRPV3GABBR2GABBR1MGLLKIF11
SCHEMBL2652705 0.80 TRPV3 (0.46) TRPV3GABBR2GABBR1MGLLKIF11
SCHEMBL2652638 0.79 TRPV3 (0.46) TRPV3GABBR2GABBR1MGLLKIF11
SCHEMBL2269629 0.78 MGLL (0.43) GABBR2GABBR1MGLLPDE2AKIF11
SCHEMBL2269517 0.76 KIF11 (0.43) TRPV3PDE2AKIF11
SCHEMBL2269549 0.76 KIF11 (0.43) TRPV3PDE2AKIF11
SCHEMBL2269544 0.76 KIF11 (0.43) TRPV3PDE2AKIF11
SCHEMBL2654112 0.74 MAOB (0.45) MGLLKIF11MAOAMAOB
SCHEMBL2268127 0.71 PDE2A (0.54) PDE2AKIF11TRPV1
SCHEMBL2268129 0.71 PDE2A (0.54) PDE2AKIF11TRPV1

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed