SCHEMBL7043301

SCHEMBL7043301

CCC1(C(c2ccccc2)c2ccccc2)CCCNC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 8/20 0.36
OPRD1 P41143 7/20 0.36
OPRK1 P41145 7/20 0.36
OPRL1 P41146 7/20 0.36
HSD11B1 P28845 1/20 0.35
GRIN2B Q13224 1/20 0.35
CXCR3 P49682 1/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL7040977 0.91 POLB (0.41) GRIN1GRIN2ACYP1A2POLBMEN1
SCHEMBL7043309 0.77 GRIN1 (0.42) GRIN1GRIN2ACYP1A2POLBMEN1
SCHEMBL6731350 0.76 GRIN1 (0.35) GRIN1GRIN2AOPRD1CYP3A4ALDH1A1
SCHEMBL6730233 0.71 GRIN1 (0.41) GRIN1GRIN2ATSHRKMT2AOPRM1
SCHEMBL7044504 0.70 GRIN1 (0.39) GRIN1GRIN2ACYP1A2POLBMEN1
SCHEMBL31655488 0.70 GRIN1 (0.38) GRIN1GRIN2ACYP1A2OPRM1OPRD1
SCHEMBL6730231 0.69 GRIN1 (0.40) GRIN1GRIN2AOPRM1OPRD1OPRK1
SCHEMBL6730223 0.69 GRIN1 (0.42) GRIN1GRIN2ACYP1A2POLBMEN1
SCHEMBL19341586 0.67 OPRM1 (0.53) GRIN1GRIN2ACYP1A2MEN1KMT2A
SCHEMBL6732401 0.65 CYP19A1 (0.32) CYP1A2POLBMEN1TSHRAPEX1

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