SCHEMBL2653571

SCHEMBL2653571

COC(=O)CCNC(=O)c1ccc(CCC(C)COc2cc(C)c(Br)c(C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ESRRG P62508 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL2653418 0.86 GCGR (0.41) ADRB2ADRB1MAPTSMN1; SMN2CA12
SCHEMBL2653577 0.85 GCGR (0.51) MAPTCA1CA2POLBRAB9A
SCHEMBL2655056 0.84 GCGR (0.47) MAPTMEN1KMT2A
SCHEMBL2655622 0.83 ALDH1A1 (0.45) ADRB2ADRB1MAPTALDH1A1HPGD
SCHEMBL2655457 0.83 NPC1 (0.44) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL2655101 0.82 ESRRG (0.49) ADRB2ADRB1CA12CA1CA2
SCHEMBL2654035 0.82 HPGD (0.38) ADRB2ADRB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2654759 0.81 GCG (0.40) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL2657119 0.80 NR1H4 (0.47) ADRB2ADRB1CA12CA1CA2
SCHEMBL2662283 0.79 MEN1 (0.46) ADRB2ADRB1CA12CA1CA2

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