SCHEMBL2659933

SCHEMBL2659933

CCCCCC(=O)c1ccc(Cl)nc1.CCCCC[C@H](O)c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.43
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
FAAH O00519 1/20 0.40
LTB4R Q15722 1/20 0.39
S1PR5 Q9H228 2/20 0.39
DGAT1 O75907 1/20 0.38
GRM4 Q14833 1/20 0.38
HTR7 P34969 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL2659930 1.00 HSD17B3 (0.43) HSD17B3MAPTRAB9AL3MBTL1NAPRT
SCHEMBL2659932 1.00 HSD17B3 (0.43) HSD17B3MAPTRAB9AL3MBTL1NAPRT
SCHEMBL2271956 0.87 HSD17B3 (0.56) HSD17B3MAPTRAB9AL3MBTL1NAPRT
SCHEMBL2270818 0.86 HSD17B3 (0.57) HSD17B3MAPTRAB9AL3MBTL1NAPRT
SCHEMBL2269514 0.85 CYP3A4 (0.39) FAAHLTB4RDGAT1LMNA
SCHEMBL2269524 0.85 CYP3A4 (0.39) FAAHLTB4RDGAT1LMNA
SCHEMBL2269519 0.85 CYP3A4 (0.39) FAAHLTB4RDGAT1LMNA
SCHEMBL20372049 0.83 HSD17B3 (0.54) HSD17B3MAPTRAB9AL3MBTL1NAPRT
SCHEMBL11899972 0.77 NAPRT (0.56) HSD17B3MAPTRAB9AL3MBTL1NAPRT
SCHEMBL11900194 0.77 CYP3A4 (0.41) MAPTNAPRTDGAT1

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed