SCHEMBL2654341

SCHEMBL2654341

OC[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)nc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 11/20 0.50
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MCHR1 Q99705 1/20 0.37

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 0.85 TRPV3 (0.46) TRPV3GABBR2GABBR1MEN1MAPT
SCHEMBL2652751 0.85 TRPV3 (0.46) TRPV3GABBR2GABBR1MEN1MAPT
SCHEMBL2272110 0.79 KDM1A (0.43) TRPV3KDM1AMAOBGABBR2GABBR1
SCHEMBL2272113 0.79 KDM1A (0.43) TRPV3KDM1AMAOBGABBR2GABBR1
SCHEMBL2272105 0.79 KDM1A (0.43) TRPV3KDM1AMAOBGABBR2GABBR1
SCHEMBL2653111 0.76 PPARD (0.40) TRPV3MAPTMCHR1PPARD
SCHEMBL2652214 0.74 GCGR (0.50)
SCHEMBL2654112 0.73 MAOB (0.45) KDM1AMAOB
SCHEMBL2652638 0.73 TRPV3 (0.46) TRPV3GABBR2GABBR1MEN1KMT2A
SCHEMBL10200042 0.71 TRPV3 (0.47) TRPV3GABBR2GABBR1MEN1GAA

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