SCHEMBL2653589

SCHEMBL2653589

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C[C@H](C)CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 1/20 0.45
KIF11 P52732 5/20 0.39
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
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CASR P41180 1/20 0.34
MC4R P32245 2/20 0.34
MAPT P10636 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
SCHEMBL2654304 0.89 RXRA (0.47) RXRARXRBRXRGKIF11PSEN1
SCHEMBL2651107 0.80 MAOB (0.44) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL2652928 0.80 RXRA (0.51) RXRARXRBRXRGKIF11PSEN1
SCHEMBL1779625 0.79 RXRA (0.54) RXRARXRBRXRGKIF11PSEN1
SCHEMBL2653214 0.79 RXRA (0.48) RXRARXRBRXRGKIF11MAPT
SCHEMBL2652563 0.78 HTR2A (0.36) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL28173593 0.77 PDE2A (0.46) AKR1C3AKR1C2MC4R
SCHEMBL3230214 0.76 RXRA (0.50) RXRARXRBRXRGKIF11PSEN1
SCHEMBL12603784 0.75 RXRA (0.55) RXRARXRBRXRGKIF11CA12
SCHEMBL2272131 0.73 RXRA (0.50) RXRARXRBRXRGKIF11CA12

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