SCHEMBL3963836

SCHEMBL3963836

Cc1nccn1-c1ccc(N2CC3(CCCC3)NC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
OPRL1 P41146 11/20 0.44
OPRM1 P35372 10/20 0.44
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADH5 P11766 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
SCHEMBL3959725 0.74 OPRL1 (0.44) OPRL1OPRM1PDE4APDE4BPDE4C
SCHEMBL3959475 0.73 OPRL1 (0.46) OPRL1OPRM1
SCHEMBL3958965 0.72 OPRL1 (0.45) OPRL1OPRM1
SCHEMBL242117 0.72 OPRL1 (0.45) OPRL1OPRM1
SCHEMBL3650162 0.72 POLB (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30558759 0.72 ALDH1A1 (0.71) MGAMGAASIMGAM2ALDH1A1
SCHEMBL240013 0.71 OPRL1 (0.62) OPRL1OPRM1
SCHEMBL242124 0.71 OPRL1 (0.47) ALDH1A1OPRL1OPRM1
SCHEMBL3959633 0.71 OPRL1 (0.51) PDE3AOPRL1OPRM1PDE4D
SCHEMBL3651953 0.71 TSHR (0.55) MGAMGAASIMGAM2ALDH1A1

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