SCHEMBL5197953

SCHEMBL5197953

CCNC(=O)c1ccc2c(c1)Sc1ccccc1N2C1(C)CC2CCC(C1)N2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
OPRD1 P41143 4/20 0.44
BCHE P06276 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL5119580 0.74 BCHE (0.44) OPRM1OPRD1BCHEGAAMAPT
SCHEMBL3173021 0.73 OPRM1 (0.48) OPRM1OPRD1BCHEGAAMAPT
SCHEMBL5119371 0.68 OPRM1 (0.47) OPRM1OPRD1BCHEGAAMAPT
SCHEMBL3583913 0.66 MAPT (0.66) GAAMAPTMEN1KMT2ALMNA
SCHEMBL13846961 0.65 CYP1A2 (0.43) OPRM1BCHEGAAMAPTMEN1
SCHEMBL27840689 0.63 LMNA (0.59) OPRM1GAAMAPTMEN1KMT2A
SCHEMBL6308837 0.62 OPRM1 (1.00) OPRM1OPRD1
SCHEMBL18381732 0.62 TP53 (0.67) GAAMAPTMEN1KMT2ALMNA
SCHEMBL9784961 0.62 TP53 (0.48) OPRM1BCHEGAAMAPTMEN1
SCHEMBL9784967 0.62 TP53 (0.48) OPRM1BCHEGAAMAPTMEN1

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-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed