SCHEMBL5067807

SCHEMBL5067807

CC[C@@H]1CN(CCc2ccccc2)C[C@]1(C)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
SIGMAR1 Q99720 3/20 0.43
NAMPT P43490 1/20 0.39
CTSK P43235 2/20 0.39
CTSS P25774 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
DRD3 P35462 1/20 0.38
OPRM1 P35372 4/20 0.38
OPRK1 P41145 3/20 0.38
OPRL1 P41146 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRIN2B Q13224 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL3977058 0.80 RORC (0.43) CTSKKMT2ANPSR1GRIN2B
SCHEMBL10306097 0.80 RORC (0.43) CTSKKMT2ANPSR1GRIN2B
SCHEMBL3975384 0.80 RORC (0.43) CTSKKMT2ANPSR1GRIN2B
SCHEMBL3975383 0.80 RORC (0.43) CTSKKMT2ANPSR1GRIN2B
SCHEMBL8541686 0.79 SIGMAR1 (0.44) DRD2SIGMAR1NAMPTCTSKCTSS
SCHEMBL6008955 0.79 SIGMAR1 (0.44) DRD2SIGMAR1NAMPTCTSKCTSS
SCHEMBL13764767 0.77 CTSK (0.39) CTSKCTSSKMT2AL3MBTL1
SCHEMBL3976700 0.77 CTSK (0.39) CTSKCTSSKMT2AL3MBTL1
SCHEMBL3976705 0.77 CTSK (0.39) CTSKCTSSKMT2AL3MBTL1
SCHEMBL4775252 0.75 SIGMAR1 (0.47) DRD2SIGMAR1NAMPTCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed