SCHEMBL4003530

SCHEMBL4003530

O=C1CCC(C(=O)NC2CCCN(c3ccccc3)C2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
USP30 Q70CQ3 3/20 0.47
ALDH1A1 P00352 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
SLC5A1 P13866 2/20 0.42
EPHX2 P34913 3/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4003524 1.00 CNR1 (0.49) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL612468 0.87 ALDH1A1 (0.52) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4144804 0.84 EPHX2 (0.47) SLC5A1EPHX2NOTUM
SCHEMBL4005564 0.83 CNR1 (0.52) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4005571 0.83 CNR1 (0.52) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4006089 0.82 DRD2 (0.61) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4007370 0.82 DRD2 (0.61) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4006081 0.82 DRD2 (0.61) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4148809 0.82 DRD2 (0.61) CNR1USP30ALDH1A1DRD2DRD3
SCHEMBL4552162 0.80 CNR1 (0.56) 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