SCHEMBL2656490

SCHEMBL2656490

Cc1cc(OCCCCc2ccc(C(=O)NCCC(=O)O)s2)ccc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.41
FFAR1 O14842 1/20 0.41
S1PR1 P21453 2/20 0.40
ACKR3 P25106 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38
ADCY9 O60503 1/20 0.38
ADCY5 O95622 1/20 0.38
ADCY8 P40145 1/20 0.38
ADCY7 P51828 1/20 0.38
ADCY2 Q08462 1/20 0.38
ADCY1 Q08828 1/20 0.38
ADCY4 Q8NFM4 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 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
SCHEMBL2656127 0.99 GCGR (0.41) GCGRFFAR1S1PR1ACKR3PPARG
SCHEMBL2654407 0.97 GCGR (0.42) GCGRFFAR1S1PR1ACKR3PPARG
SCHEMBL2654749 0.92 GCGR (0.46) GCGRS1PR1PPARGPPARDPPARA
SCHEMBL2655511 0.92 HPGD (0.40) GCGRFFAR1ACKR3PPARGPPARD
SCHEMBL2652528 0.92 HPGD (0.42) GCGRFFAR1ACKR3PPARGPPARD
SCHEMBL2655313 0.92 GCGR (0.45) GCGRS1PR1PPARGPPARDPPARA
SCHEMBL2654424 0.90 GCGR (0.46) GCGRFFAR1PPARGPPARDPPARA
SCHEMBL2653247 0.90 HPGD (0.39) GCGRFFAR1ACKR3PPARGPPARD
SCHEMBL2652221 0.90 GCGR (0.50) GCGRFFAR1S1PR1ACKR3PPARG
SCHEMBL13647269 0.90 GCGR (0.44) GCGRFFAR1ACKR3PPARGPPARD

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 4 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
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