SCHEMBL2665980

SCHEMBL2665980

CCC(CC)C(=O)Nc1sc2c(c1N)CCCC2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 1/20 0.36
KIF11 P52732 1/20 0.35
ADORA1 P30542 1/20 0.34
EEF2K O00418 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL2650034 0.85 GCGR (0.57) GCGRSMN1; SMN2KMT2AMEN1ADORA1
SCHEMBL2666078 0.78 GCGR (0.41) GCGRSMN1; SMN2TSHRMAPT
SCHEMBL2665979 0.77 GCGR (0.51) GCGRSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL13963391 0.69 GCGR (0.38) GCGRSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL13963028 0.65 PTPN1 (0.43) GCGRSMN1; SMN2KMT2AMEN1
SCHEMBL2648406 0.65 GCGR (0.70) GCGRSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL13963500 0.65 PIK3CD (0.36) GCGRSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL13963604 0.64 ADORA1 (0.45) GCGRADORA1
SCHEMBL34467553 0.63 DYRK1A (0.46) SMN1; SMN2KMT2AMEN1ADORA1MAPT
SCHEMBL13963605 0.63 PTPN1 (0.48) GCGRTSHR

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
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 WO disclosed