SCHEMBL5738565

SCHEMBL5738565

CSCCC(=O)Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1.Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1.O=C(O)c1cnc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.47
OPRD1 P41143 9/20 0.47
OPRK1 P41145 6/20 0.47
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
ROCK1 Q13464 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5738562 0.93 OPRM1 (0.54) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL579551 0.83 RECQL (0.57) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL579758 0.80 OPRM1 (0.58) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL579883 0.73 HTT (0.53) OPRM1OPRD1OPRK1GRIN2DGRIN3B
2-Picolinic Acid SCHEMBL5740572 0.70 RAB9A (0.52) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL5751520 0.70 OPRM1 (0.58) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL579810 0.70 LTA4H (0.68) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL580192 0.69 MEN1 (0.60) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL579606 0.69 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL579444 0.68 OPRM1 (0.60) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 WO disclosed