SCHEMBL4003526

SCHEMBL4003526

O=C1CCC(C(=O)N[C@]2(c3ccccc3)CCCNC2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.45
SLC6A9 P48067 1/20 0.44
SLC5A1 P13866 4/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
SCN9A Q15858 7/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
OPRD1 P41143 1/20 0.34
CDK9 P50750 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4005570 0.85 SSTR4 (0.49) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4007365 0.85 SSTR4 (0.54) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4006087 0.85 SSTR4 (0.54) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4552161 0.82 SSTR4 (0.49) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4007336 0.81 SSTR4 (0.48) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4010688 0.80 SSTR4 (0.46) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4004722 0.79 SSTR4 (0.46) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4004728 0.79 SLC6A9 (0.49) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4006876 0.76 SLC6A9 (0.37) SLC6A9SCN9ADDB1CRBN
SCHEMBL4011286 0.75 SLC6A9 (0.50) SSTR4SLC6A9OPRM1HSD17B10

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