SCHEMBL4552162

SCHEMBL4552162

O=C(NC1CCCN(c2ccccc2)C1)C1CCC(O)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
USP30 Q70CQ3 1/20 0.53
ALDH1A1 P00352 2/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
EPHX2 P34913 2/20 0.47
NOTUM Q6P988 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4004242 1.00 CNR1 (0.56) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4148809 0.90 DRD2 (0.61) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4006081 0.90 DRD2 (0.61) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4007370 0.90 DRD2 (0.61) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4006089 0.90 DRD2 (0.61) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4007340 0.89 CNR1 (0.55) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4007333 0.89 CNR1 (0.55) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL612332 0.87 ALDH1A1 (0.58) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL612333 0.87 ALDH1A1 (0.58) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4010690 0.86 DRD2 (0.55) CNR1USP30ALDH1A1DRD2DRD3

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