SCHEMBL7044504

SCHEMBL7044504

CC1(C(c2ccccc2)c2ccccc2)CCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 1/20 0.39
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
OPRL1 P41146 4/20 0.36
HSD11B1 P28845 4/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7043309 0.90 GRIN1 (0.42) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL7040977 0.76 POLB (0.41) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL17172987 0.71 OTUD7B (0.31)
SCHEMBL23836081 0.71 OTUD7B (0.31)
SCHEMBL7433600 0.71 OTUD7B (0.31)
SCHEMBL7043301 0.70 GRIN1 (0.41) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL22147812 0.69 GRIN1 (0.49) GRIN1GRIN2AGRIN2BOPRM1OPRK1
SCHEMBL31655488 0.69 GRIN1 (0.38) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL23516558 0.69 HSD11B1 (0.36) HSD11B1
SCHEMBL23516613 0.68 TYR (0.44) 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-2003007940-A1 LACTAM AND THIOLACTAM DERIVATIVES AS ANESTHETIC AND CONSCIOUS SEDATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-01-30 WO disclosed