SCHEMBL4775907

SCHEMBL4775907

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
DRD2 P14416 4/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PRCP P42785 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 4/20 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
SCHEMBL4775900 1.00 MBTD1 (0.39) MBTD1L3MBTL3DRD2DRD4DRD3
SCHEMBL4780447 0.86 OPRD1 (0.41) MBTD1L3MBTL3DRD2DRD4DRD3
SCHEMBL1795969 0.85 LMNA (0.43) PRCP
SCHEMBL1795967 0.85 LMNA (0.43) PRCP
SCHEMBL22557476 0.83 OPRD1 (0.49)
SCHEMBL22557475 0.83 OPRD1 (0.49)
SCHEMBL4779720 0.83 OPRD1 (0.49)
SCHEMBL4779712 0.83 OPRD1 (0.49)
SCHEMBL3517323 0.80 SLC6A3 (0.46)
SCHEMBL3514322 0.80 SLC6A3 (0.46)

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 1 patent. 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