SCHEMBL2647427

SCHEMBL2647427

CCCC=Cc1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGES O14684 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 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
SCHEMBL2647426 1.00 SLC10A2 (0.42) SLC10A2TRPM8L3MBTL1ALOX5SMN1; SMN2
SCHEMBL2649909 0.90 SLC10A2 (0.44) SLC10A2L3MBTL1ALOX5SMN1; SMN2ADORA3
SCHEMBL2648338 0.89 GCGR (0.46) SLC10A2TRPM8L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL2648656 0.88 SLC10A2 (0.43) SLC10A2TRPM8SMN1; SMN2GABRA2GABRB2
SCHEMBL2648651 0.88 SLC10A2 (0.43) SLC10A2TRPM8SMN1; SMN2GABRA2GABRB2
SCHEMBL2648214 0.86 MAPT (0.48) SLC10A2SMN1; SMN2CYP1A2CYP2C9ADORA3
SCHEMBL2648215 0.86 MAPT (0.48) SLC10A2SMN1; SMN2CYP1A2CYP2C9ADORA3
SCHEMBL2649051 0.86 MAPT (0.45) SLC10A2L3MBTL1SMN1; SMN2TP53ALDH1A1
SCHEMBL2647508 0.86 SLC10A2 (0.45) SLC10A2L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2647505 0.86 SLC10A2 (0.45) SLC10A2L3MBTL1SMN1; SMN2ALDH1A1LMNA

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