SCHEMBL2653953

SCHEMBL2653953

Cc1cc(OCC(C)CCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.43
GIPR P48546 7/20 0.37
FFAR1 O14842 1/20 0.36
MCL1 Q07820 2/20 0.35
KMT2A Q03164 1/20 0.34
GCG P01275 2/20 0.34
VIPR2 P41587 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
VIPR1 P32241 1/20 0.34
DUSP2 Q05923 1/20 0.34

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
SCHEMBL2654239 0.93 GCGR (0.41) GCGRGIPRFFAR1MCL1KMT2A
SCHEMBL2653999 0.92 FFAR1 (0.41) GCGRFFAR1MCL1KMT2A
SCHEMBL2653891 0.91 GCGR (0.42) GCGRGIPRMCL1KMT2AGCG
SCHEMBL2655038 0.91 GCGR (0.39) GCGRFFAR1MCL1KMT2AGCG
SCHEMBL2652676 0.90 GCGR (0.51) GCGRGIPRFFAR1MCL1KMT2A
SCHEMBL2654214 0.89 GCGR (0.38) GCGRFFAR1MCL1KMT2A
SCHEMBL2654440 0.89 GCGR (0.47) GCGRGIPRMCL1GCGVIPR2
SCHEMBL2654266 0.89 GCGR (0.43) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2654772 0.88 GCGR (0.36) GCGRFFAR1MCL1KMT2AGCG
SCHEMBL2653101 0.88 GCGR (0.42) GCGRGIPRFFAR1MCL1KMT2A

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