SCHEMBL2652563

SCHEMBL2652563

Cc1cc(CC(C)CCO)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PDE2A O00408 1/20 0.36
MAPT P10636 1/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
PPARA Q07869 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
KCNH2 Q12809 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
NPC1 O15118 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
SCHEMBL2651107 0.83 MAOB (0.44) HTR2AHTR2CHTR2BPSEN1PSEN2
SCHEMBL2656189 0.79 RXRA (0.43) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL2653589 0.78 RXRA (0.45) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL2657021 0.73 MAPT (0.39) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL4608415 0.73 ALDH1A1 (0.41) PPARAKCNH2TMEM97NPC1ALDH1A1
SCHEMBL1765105 0.71 KIF11 (0.55) MAPTKIF11
SCHEMBL1133428 0.70 MAPT (0.48) MAPTKIF11
SCHEMBL2652984 0.70 MAOB (0.46) HTR2AHTR2CHTR2BPSEN1PSEN2
SCHEMBL2271994 0.69 PSEN1 (0.48) PDE2AMAPTPSEN1PSEN2APH1B
SCHEMBL28173593 0.69 PDE2A (0.46) HTR2AHTR2CHTR2BPDE2AAKR1C3

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