SCHEMBL4004728

SCHEMBL4004728

COC1CCC(C(=O)N[C@]2(c3ccccc3)CCCNC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.49
SSTR4 P31391 1/20 0.46
OPRM1 P35372 4/20 0.41
ADORA3 P0DMS8 1/20 0.41
OPRL1 P41146 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
SCN9A Q15858 6/20 0.39
DPP4 P27487 1/20 0.37
HSD11B1 P28845 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL4006587 0.88 SLC6A9 (0.47) SLC6A9SSTR4OPRM1OPRL1SCN9A
SCHEMBL4007336 0.87 SSTR4 (0.48) SLC6A9SSTR4OPRM1OPRL1SCN9A
SCHEMBL4552161 0.86 SSTR4 (0.49) SLC6A9SSTR4OPRM1ADORA3OPRL1
SCHEMBL4007365 0.86 SSTR4 (0.54) SLC6A9SSTR4OPRM1OPRL1SCN9A
SCHEMBL4006087 0.86 SSTR4 (0.54) SLC6A9SSTR4OPRM1OPRL1SCN9A
SCHEMBL4004722 0.84 SSTR4 (0.46) SLC6A9SSTR4OPRM1OPRL1SCN9A
SCHEMBL4005570 0.83 SSTR4 (0.49) SLC6A9SSTR4OPRM1OPRL1SCN9A
SCHEMBL4010688 0.83 SSTR4 (0.46) SLC6A9SSTR4OPRM1OPRL1SCN9A
SCHEMBL4002856 0.80 ITGB1 (0.40) SLC6A9OPRM1ADORA3MAPK8MAPK10
SCHEMBL4003526 0.79 SSTR4 (0.45) SLC6A9SSTR4OPRM1OPRL1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed