SCHEMBL2652705

SCHEMBL2652705

OC[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 4/20 0.46
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KIF11 P52732 1/20 0.40
FFAR1 O14842 1/20 0.39
GABBR2 O75899 2/20 0.39
GABBR1 Q9UBS5 2/20 0.39
MAPT P10636 1/20 0.39
RPS6KB1 P23443 3/20 0.38
MGLL Q99685 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
XBP1 P17861 1/20 0.38

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 1.00 TRPV3 (0.46) TRPV3CYP3A4MEN1LMNAHTT
SCHEMBL2654112 0.87 MAOB (0.45) KIF11FFAR1MGLL
SCHEMBL2654341 0.85 TRPV3 (0.50) TRPV3MEN1KMT2AGABBR2GABBR1
SCHEMBL2652638 0.81 TRPV3 (0.46) TRPV3CYP3A4MEN1LMNAHTT
SCHEMBL2651171 0.81 PTPN1 (0.43) TRPV3CYP3A4MEN1KMT2AFFAR1
SCHEMBL2652083 0.80 TRPV3 (0.41) TRPV3MEN1LMNAHTTKMT2A
SCHEMBL21495045 0.77 EPHX2 (0.46) MEN1KMT2AGABBR2GABBR1
SCHEMBL9540364 0.75 PDE2A (0.40) TRPV3FFAR1RPS6KB1
SCHEMBL26081058 0.74 DHODH (0.50) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL966816 0.74 MEN1 (0.58) MEN1LMNAKMT2AFFAR1MAPT

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