SCHEMBL2649262

SCHEMBL2649262

CCC/C=C/c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.50
SLC10A2 Q12908 1/20 0.43
ESR1 P03372 1/20 0.42
HMGCR P04035 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2649264 1.00 GCGR (0.50) GCGRSLC10A2ESR1HMGCRCHRM1
SCHEMBL2649395 0.93 GCGR (0.47) GCGRSLC10A2MEN1ALDH1A1MAPT
SCHEMBL2649396 0.93 GCGR (0.47) GCGRSLC10A2MEN1ALDH1A1MAPT
SCHEMBL2647468 0.92 SLC10A2 (0.44) GCGRSLC10A2MEN1ALDH1A1MAPT
SCHEMBL2647466 0.92 SLC10A2 (0.44) GCGRSLC10A2MEN1ALDH1A1MAPT
SCHEMBL2650698 0.91 SLC10A2 (0.43) GCGRSLC10A2ESR1HMGCRCHRM1
SCHEMBL2649455 0.91 SLC10A2 (0.43) GCGRSLC10A2ESR1HMGCRCHRM1
SCHEMBL2647327 0.91 SLC10A2 (0.43) GCGRSLC10A2MEN1ALDH1A1MAPT
SCHEMBL2648214 0.90 MAPT (0.48) SLC10A2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2648215 0.90 MAPT (0.48) SLC10A2MEN1ALDH1A1MAPTKMT2A

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