SCHEMBL2653745

SCHEMBL2653745

COC(=O)CCNC(=O)c1ccc(CCCCCCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.49
TRPV1 Q8NER1 7/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
EPHX2 P34913 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HDAC3 O15379 1/20 0.43

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
SCHEMBL2653990 0.91 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2654466 0.91 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2656085 0.90 TRPV1 (0.48) GCGRTRPV1EPHX2NR1H4
SCHEMBL2652734 0.90 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2654517 0.90 GCGR (0.57) GCGRTRPV1
SCHEMBL2655109 0.90 GCGR (0.57) GCGRTRPV1
SCHEMBL2653250 0.90 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2652991 0.90 NPC1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2654356 0.88 NPC1 (0.53) MEN1KMT2AEPHX2NPC1RAB9A
SCHEMBL2653784 0.88 NPC1 (0.53) MEN1KMT2AEPHX2NPC1RAB9A

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed