SCHEMBL2653596

SCHEMBL2653596

Cc1cc(SCCCCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.44
ACKR3 P25106 1/20 0.40
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FOLR1 P15328 1/20 0.36
GIPR P48546 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
MAPT P10636 1/20 0.35
ADCY6 O43306 2/20 0.34
ADCY3 O60266 2/20 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
SCHEMBL2652959 0.99 GCGR (0.43) GCGRACKR3KMT2AMCL1ALDH1A1
SCHEMBL2653026 0.97 GCGR (0.44) GCGRACKR3KMT2AMCL1ALDH1A1
SCHEMBL2653160 0.94 GCGR (0.46) GCGRACKR3KMT2AMCL1GIPR
SCHEMBL2653235 0.92 MCL1 (0.43) GCGRKMT2AMCL1ALDH1A1LMNA
SCHEMBL2662579 0.92 MCL1 (0.42) GCGRKMT2AMCL1ALDH1A1LMNA
SCHEMBL2654382 0.89 GCGR (0.44) GCGRACKR3KMT2AMCL1ALDH1A1
SCHEMBL13647296 0.88 GCGR (0.47) GCGRACKR3KMT2AMCL1GIPR
SCHEMBL2653293 0.87 GCGR (0.45) GCGRACKR3KMT2AMCL1FOLR1
SCHEMBL2652221 0.87 GCGR (0.50) GCGRACKR3KMT2AMCL1ALDH1A1
SCHEMBL2655551 0.86 GRIA4 (0.39) ALDH1A1LMNAPRNPRECQLRXFP1

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 claimed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO claimed