SCHEMBL3959633

SCHEMBL3959633

O=C1NC2(CCCCC2)CN1c1ccc(-c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.51
OPRM1 P35372 15/20 0.51
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE7A Q13946 1/20 0.44
PDE1C Q14123 1/20 0.44
PDE3A Q14432 1/20 0.44
CNR2 P34972 1/20 0.41

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
SCHEMBL3959866 0.87 OPRL1 (0.48) OPRL1OPRM1PDE5APDE1APDE1B
SCHEMBL3958965 0.74 OPRL1 (0.45) OPRL1OPRM1
SCHEMBL242117 0.74 OPRL1 (0.45) OPRL1OPRM1
SCHEMBL3959725 0.71 OPRL1 (0.44) OPRL1OPRM1PDE4D
SCHEMBL3963836 0.71 MGAM (0.48) OPRL1OPRM1PDE4DPDE3A
SCHEMBL240013 0.70 OPRL1 (0.62) OPRL1OPRM1
SCHEMBL242124 0.70 OPRL1 (0.47) OPRL1OPRM1PDE7A
SCHEMBL12235918 0.69 OPRL1 (0.50) OPRL1OPRM1
SCHEMBL22800047 0.68 OPRM1 (0.67) OPRL1OPRM1
SCHEMBL3647216 0.68 TSHR (0.68) PDE5APDE1APDE1BPDE4DPDE7A

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-2009034062-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-19 WO disclosed
WO-2009034062-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-19 WO disclosed