SCHEMBL2652371

SCHEMBL2652371

O=C(O)c1ccc(OCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.56
RARB P10826 11/20 0.56
BCL2 P10415 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SRD5A2 P31213 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
MAOB P27338 2/20 0.50
NR4A2 P43354 1/20 0.50
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL2653079 0.96 BCL2 (0.54) PLA2G4BRARBBCL2MRGPRX4MEN1
SCHEMBL2652217 0.96 BCL2 (0.54) PLA2G4BRARBBCL2MRGPRX4MEN1
SCHEMBL2652878 0.86 MEN1 (0.55) MEN1KMT2AMAPTMAOB
SCHEMBL2654154 0.86 SMN1; SMN2 (0.60) PLA2G4BRARBMRGPRX4MAPT
SCHEMBL2651906 0.84 MEN1 (0.56) MEN1KMT2AMAPT
SCHEMBL2655721 0.84 MEN1 (0.56) MEN1KMT2AMAPT
SCHEMBL2653107 0.83 SMN1; SMN2 (0.59) MRGPRX4MEN1KMT2ASRD5A2MAPT
SCHEMBL2653574 0.83 MEN1 (0.55) MEN1KMT2AMAPT
SCHEMBL2654985 0.83 MEN1 (0.55) MEN1KMT2AMAPT
SCHEMBL2653662 0.83 MEN1 (0.55) MEN1KMT2AMAPT

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