SCHEMBL5135170

SCHEMBL5135170

CN(C(=O)c1ccccc1)C1(CC2CCOCC2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
OPRL1 P41146 2/20 0.39
OPRD1 P41143 8/20 0.38
OPRK1 P41145 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2D6 P10635 6/20 0.36
KCNH2 Q12809 6/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL5134854 0.78 CNR1 (0.37) OPRL1POLBKCNH2CNR1CNR2
SCHEMBL5332673 0.76 CNR1 (0.33) OPRM1OPRL1OPRD1POLBCYP2D6
SCHEMBL1290783 0.72 OPRM1 (0.35) OPRM1OPRL1
SCHEMBL22122901 0.72 POLB (0.47) POLBMAPT
SCHEMBL17185047 0.68 SLC6A4 (0.56) OPRD1MAPTCYP2D6KCNH2SLC6A2
SCHEMBL30644811 0.67 NSD2 (0.49) POLBMAPT
SCHEMBL29845665 0.67 NSD2 (0.49) POLBMAPT
SCHEMBL30804747 0.67 TGFBR1 (0.49)
SCHEMBL30731030 0.66 USP30 (0.51) OPRM1OPRD1OPRK1
SCHEMBL250597 0.64 ACHE (0.63)

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-1942893-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007053400-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-05-10 WO disclosed