SCHEMBL2654035

SCHEMBL2654035

COC(=O)CCNC(=O)c1ccc(CCC(C)COc2cc(C)c(Br)c(C)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAMPT P43490 1/20 0.34
EPHX2 P34913 3/20 0.34
TSHR P16473 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
RPS6KB2 Q9UBS0 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL2653842 0.92 ALDH1A1 (0.38) HPGDALDH1A1LMNASMN1; SMN2EPHX2
SCHEMBL2653837 0.91 HPGD (0.40) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2654086 0.84 GCGR (0.40) HPGDLMNAMAPTSMN1; SMN2EPHX2
SCHEMBL2652589 0.82 ALDH1A1 (0.41) HPGDALDH1A1LMNAMAPTTSHR
SCHEMBL2653014 0.82 SMN1; SMN2 (0.36) HPGDLMNAMAPTSMN1; SMN2NAMPT
SCHEMBL2653571 0.82 ADRB2 (0.41) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2655747 0.81 MCL1 (0.40) SMN1; SMN2EPHX2
SCHEMBL2653999 0.80 FFAR1 (0.41) SMN1; SMN2EPHX2TSHR
SCHEMBL2654772 0.80 GCGR (0.36)
SCHEMBL2654877 0.79 HPGD (0.36) HPGDLMNAMAPTSMN1; SMN2ADRB2

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-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed