SCHEMBL2656547

SCHEMBL2656547

CCOC(=O)CCNC(=O)c1ccc(CC(C)CCOc2cc(C)c(Br)c(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MCL1 Q07820 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
LTA4H P09960 2/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 2/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38

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
SCHEMBL2656634 0.85 GCGR (0.50) MAPTSMN1; SMN2MCL1LMNANPC1
SCHEMBL2655857 0.84 GCGR (0.46) MAPTSMN1; SMN2NPC1EPHX2
SCHEMBL2657602 0.81 MAPT (0.47) MAPTSMN1; SMN2NPC1EPHX2
SCHEMBL2656545 0.80 MAPT (0.45) MAPTSMN1; SMN2MCL1CYP1A2CYP3A4
SCHEMBL2653571 0.77 ADRB2 (0.41) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL2655457 0.75 NPC1 (0.44) MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL2655997 0.75 GCGR (0.61) NPC1EPHX2
SCHEMBL2655051 0.74 GCGR (0.55)
SCHEMBL8879516 0.72 MAPT (0.82) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL23782641 0.72 HPGD (0.61) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19

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-1951659-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-06 EP disclosed
WO-2007114855-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-11 WO disclosed