SCHEMBL2654112

SCHEMBL2654112

OC[C@H](c1ccc(-c2cccc(C(F)(F)F)c2)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
KDM1A O60341 3/20 0.44
PTPN1 P18031 1/20 0.43
EPHX1 P07099 4/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
S1PR5 Q9H228 1/20 0.42
MGLL Q99685 1/20 0.41
MAOA P21397 2/20 0.41
NAAA Q02083 1/20 0.41
KIF11 P52732 1/20 0.40
EPHX2 P34913 1/20 0.40
FFAR1 O14842 1/20 0.40
F2R P25116 1/20 0.40

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 0.87 TRPV3 (0.46) MGLLKIF11FFAR1
SCHEMBL2652751 0.87 TRPV3 (0.46) MGLLKIF11FFAR1
SCHEMBL5805144 0.79 PTPN1 (0.52) PTPN1S1PR5KIF11
SCHEMBL2277268 0.78 MGLL (0.46) MAOBKDM1ASPHK2SPHK1S1PR5
SCHEMBL2277272 0.78 MGLL (0.46) MAOBKDM1ASPHK2SPHK1S1PR5
SCHEMBL2277277 0.78 MGLL (0.46) MAOBKDM1ASPHK2SPHK1S1PR5
SCHEMBL2651171 0.77 PTPN1 (0.43) PTPN1FFAR1
SCHEMBL2652083 0.74 TRPV3 (0.41) MAOBMGLLMAOAKIF11
SCHEMBL2654341 0.73 TRPV3 (0.50) MAOBKDM1A
SCHEMBL2185961 0.72 EPHX1 (0.50) EPHX1EPHX2

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