SCHEMBL4782508

SCHEMBL4782508

C=CC(I)N1CCC[C@H]1C(OC(=O)C(C)(C)C)c1cccc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.38
OPRM1 P35372 3/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4725189 0.82 OPRD1 (0.46) OPRD1OPRM1
SCHEMBL4725192 0.82 OPRD1 (0.46) OPRD1OPRM1
SCHEMBL4777150 0.81 POLB (0.41) POLB
SCHEMBL4777152 0.81 POLB (0.41) POLB
SCHEMBL4777789 0.78 HSD17B2 (0.43) OPRD1OPRM1POLB
Hydrochloric Acid SCHEMBL4776178 0.70 SLC6A2 (0.50)
Hydrochloric Acid SCHEMBL4776186 0.70 SLC6A2 (0.50)
SCHEMBL29201240 0.66 L3MBTL1 (0.48) POLB
SCHEMBL14417575 0.65 HSD17B2 (0.46) POLB
SCHEMBL8220797 0.64 USP30 (0.48) POLB

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