SCHEMBL4037340

SCHEMBL4037340

CCC(CCc1sc2c(c1C#N)CCC(N(C)CC1CCc3ccccc31)C2)CNC(=O)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.44
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
PRMT5 O14744 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
PIN1 Q13526 1/20 0.30

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
SCHEMBL4046896 0.87 GCGR (0.37) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL4040360 0.84 GCGR (0.49) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL4035541 0.82 GCGR (0.48) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL4045354 0.81 GCGR (0.40) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL4037934 0.81 GCGR (0.46) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL4037348 0.78 GCGR (0.60) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL4042167 0.77 GCGR (0.49) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL4040885 0.77 GCGR (0.50) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL6315675 0.76 NPC1 (0.35) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4044047 0.76 GCGR (0.51) GCGRMAPTNPSR1SAE1UBA2

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
EP-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 EP claimed