SCHEMBL4006587

SCHEMBL4006587

COC1CCCC(C(=O)N[C@]2(c3ccccc3)CCCNC2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.47
SSTR4 P31391 1/20 0.43
SCN9A Q15858 10/20 0.40
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
HSD11B1 P28845 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL4004728 0.88 SLC6A9 (0.49) SLC6A9SSTR4SCN9AOPRM1OPRL1
SCHEMBL4006087 0.83 SSTR4 (0.54) SLC6A9SSTR4SCN9AOPRM1OPRL1
SCHEMBL4007365 0.83 SSTR4 (0.54) SLC6A9SSTR4SCN9AOPRM1OPRL1
SCHEMBL4005570 0.81 SSTR4 (0.49) SLC6A9SSTR4SCN9AOPRM1OPRL1
SCHEMBL4007336 0.80 SSTR4 (0.48) SLC6A9SSTR4SCN9AOPRM1OPRL1
SCHEMBL4552161 0.78 SSTR4 (0.49) SLC6A9SSTR4SCN9AOPRM1OPRL1
SCHEMBL4004722 0.77 SSTR4 (0.46) SLC6A9SSTR4SCN9AOPRM1OPRL1
SCHEMBL4010688 0.76 SSTR4 (0.46) SLC6A9SSTR4SCN9AOPRM1OPRL1
SCHEMBL7314168 0.74 SSTR4 (0.54) SSTR4SCN9AOPRM1OPRL1
SCHEMBL4003526 0.74 SSTR4 (0.45) SLC6A9SSTR4SCN9AOPRM1OPRL1

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-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