SCHEMBL4780447

SCHEMBL4780447

C=CCN1CCCC[C@H]1[C@@H](N)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.41
OPRM1 P35372 9/20 0.41
OPRK1 P41145 9/20 0.41
OPRL1 P41146 9/20 0.41
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
PRCP P42785 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4775907 0.86 MBTD1 (0.39) MBTD1L3MBTL3PRCPDRD2DRD4
SCHEMBL4775900 0.86 MBTD1 (0.39) MBTD1L3MBTL3PRCPDRD2DRD4
SCHEMBL1797557 0.85 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1PRCP
SCHEMBL3515953 0.85 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1PRCP
SCHEMBL1797560 0.85 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1PRCP
SCHEMBL4781736 0.85 OPRD1 (0.43) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4792274 0.83 OPRD1 (0.49) OPRD1OPRM1
SCHEMBL4778028 0.80 OPRD1 (0.36) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4776163 0.80 OPRD1 (0.36) OPRD1OPRM1OPRK1OPRL1
SCHEMBL3516176 0.80 SLC6A3 (0.46) OPRD1OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed