SCHEMBL2652638

SCHEMBL2652638

OCC(c1ccccc1-c1ccc(C(F)(F)F)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 4/20 0.46
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
KIF11 P52732 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM3 P20309 1/20 0.36
MTTP P55157 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MGLL Q99685 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
APOB P04114 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL2652705 0.81 TRPV3 (0.46) TRPV3GABBR2GABBR1KIF11MEN1
SCHEMBL2652751 0.81 TRPV3 (0.46) TRPV3GABBR2GABBR1KIF11MEN1
SCHEMBL11621257 0.80 DRD2 (0.38) TRPV3KIF11CHRM3OPRM1OPRK1
SCHEMBL2652083 0.79 TRPV3 (0.41) TRPV3GABBR2GABBR1KIF11MEN1
SCHEMBL2273226 0.78 APP (0.39) TRPV3CHRM3MTTPMGLL
SCHEMBL2651171 0.76 PTPN1 (0.43) TRPV3MEN1KMT2ARXFP1CYP3A4
SCHEMBL2654341 0.73 TRPV3 (0.50) TRPV3GABBR2GABBR1MEN1KMT2A
SCHEMBL10368479 0.72 MEN1 (0.40) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL2654112 0.72 MAOB (0.45) KIF11MGLL
SCHEMBL11856578 0.71 TAS1R3 (0.40) MEN1KMT2ASMN1; SMN2OPRM1

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