SCHEMBL4556324

SCHEMBL4556324

CC1(C)CN([C@H](c2ccc(C#N)cc2)c2cccc(O)c2)CCN1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
SLC6A9 P48067 9/20 0.42
MGLL Q99685 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM1 P11229 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
SCHEMBL4161565 0.76 SLC6A9 (0.61) OPRM1SLC6A9CHRM1
Hydrochloric Acid SCHEMBL4149476 0.74 SLC6A9 (0.60) SLC6A9MEN1KMT2ACHRM1
SCHEMBL4148214 0.72 CYP1A2 (0.53) OPRD1OPRM1OPRK1
SCHEMBL29968471 0.72 CYP1A2 (0.53) OPRD1OPRM1OPRK1
SCHEMBL4148207 0.72 CYP1A2 (0.53) OPRD1OPRM1OPRK1
SCHEMBL6476373 0.69 HTT (0.42) OPRD1MEN1KMT2A
SCHEMBL6652382 0.69 SLC6A9 (0.60) OPRD1OPRM1OPRK1SLC6A9
SCHEMBL4135352 0.69 SLC6A9 (0.81) OPRD1OPRM1OPRK1OPRL1SLC6A9
SCHEMBL4135348 0.69 SLC6A9 (0.81) OPRD1OPRM1OPRK1OPRL1SLC6A9
SCHEMBL4135358 0.69 SLC6A9 (0.81) OPRD1OPRM1OPRK1OPRL1SLC6A9

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
EP-2041088-A1 GLYCINE TRANSPORTER-1 INHIBITORS Amgen Inc. (US) 2009-04-01 EP disclosed
WO-2008002583-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2008-01-03 WO disclosed