SCHEMBL2648656

SCHEMBL2648656

CCCC=Cc1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
GCGR P47871 2/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.42
TARBP2 Q15633 1/20 0.42
PRKCZ Q05513 2/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
POLB P06746 3/20 0.39
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 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
SCHEMBL2648651 1.00 SLC10A2 (0.43) SLC10A2TP53MDM2GCGRLMNA
SCHEMBL2647327 0.93 SLC10A2 (0.43) SLC10A2TP53MDM2GCGRLMNA
SCHEMBL2647468 0.92 SLC10A2 (0.44) SLC10A2GCGRLMNAMAPTALDH1A1
SCHEMBL2647466 0.92 SLC10A2 (0.44) SLC10A2GCGRLMNAMAPTALDH1A1
SCHEMBL2649455 0.91 SLC10A2 (0.43) SLC10A2GCGRLMNAMAPTALDH1A1
SCHEMBL2650698 0.91 SLC10A2 (0.43) SLC10A2GCGRLMNAMAPTALDH1A1
SCHEMBL2648214 0.90 MAPT (0.48) SLC10A2TP53LMNAMAPTALDH1A1
SCHEMBL2649264 0.90 GCGR (0.50) SLC10A2GCGRMAPTALDH1A1THRB
SCHEMBL2648215 0.90 MAPT (0.48) SLC10A2TP53LMNAMAPTALDH1A1
SCHEMBL2649262 0.90 GCGR (0.50) SLC10A2GCGRMAPTALDH1A1THRB

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