SCHEMBL2650489

SCHEMBL2650489

CCCC=Cc1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.44
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
APAF1 O14727 1/20 0.38
MITF O75030 1/20 0.38
ALOX5 P09917 3/20 0.38
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC10A2 Q12908 1/20 0.36
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
THRB P10828 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL2650486 1.00 GCGR (0.44) GCGRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2648905 0.90 MAPT (0.39) ALDH1A1MAPTLMNASMN1; SMN2APAF1
SCHEMBL2648908 0.90 MAPT (0.39) ALDH1A1MAPTLMNASMN1; SMN2APAF1
SCHEMBL2648085 0.88 LDHA (0.37) ALDH1A1MAPTLMNASMN1; SMN2APAF1
SCHEMBL2649161 0.86 MAPT (0.36) GCGRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2649163 0.86 MAPT (0.36) GCGRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2648214 0.84 MAPT (0.48) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2648215 0.84 MAPT (0.48) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2649262 0.84 GCGR (0.50) GCGRALDH1A1MAPTNPSR1SLC10A2
SCHEMBL2649264 0.84 GCGR (0.50) GCGRALDH1A1MAPTNPSR1SLC10A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed