SCHEMBL5730883

SCHEMBL5730883

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(CC(C)(C)CCO)C(=O)CC(C)(C)C)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.58
ALDH1A1 P00352 9/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
PTPN5 P54829 1/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL5729959 0.90 GCGR (0.59) GCGRALDH1A1NPC1RAB9AALOX15
SCHEMBL5730444 0.88 GCGR (0.57) GCGRALDH1A1NPC1RAB9AALOX15
SCHEMBL5730084 0.87 GCGR (0.65) GCGRALDH1A1NPC1RAB9AMAPT
SCHEMBL4037776 0.82 GCGR (0.59) GCGRALDH1A1NPC1RAB9AALOX15
SCHEMBL4036939 0.80 GCGR (0.78) GCGRALDH1A1NPC1RAB9AALOX15
SCHEMBL2650404 0.76 GCGR (0.72) GCGRALDH1A1NPC1RAB9AALOX15
SCHEMBL4040489 0.75 GCGR (0.60) GCGRALDH1A1NPC1RAB9AALOX15
SCHEMBL2647850 0.74 GCGR (1.00) GCGRALDH1A1NPC1RAB9AALOX15
SCHEMBL4042212 0.74 GCGR (0.59) GCGRALDH1A1NPC1RAB9AALOX15
SCHEMBL4040294 0.73 GCGR (0.66) GCGRALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549655-A4 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2006-05-31 EP claimed
EP-1549655-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2005-07-06 EP claimed
WO-2004024065-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-03-25 WO claimed