SCHEMBL5196017

SCHEMBL5196017

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccc(Br)cc1C2C1CC2CCC(C2)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.38
OPRM1 P35372 3/20 0.38
HPGD P15428 3/20 0.34
GUSB P08236 1/20 0.33
USP2 O75604 1/20 0.32
HTR2A P28223 5/20 0.32
HTR2C P28335 5/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 2/20 0.32
OPRK1 P41145 1/20 0.32
MRGPRX2 Q96LB1 1/20 0.32

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
SCHEMBL4513007 0.87 OPRM1 (0.42) OPRD1OPRM1HPGDGUSBUSP2
SCHEMBL4514324 0.76 OPRD1 (0.42) OPRD1OPRM1HPGDHTR2AHTR2C
SCHEMBL4507748 0.76 OPRD1 (0.50) OPRD1OPRM1HPGDUSP2MEN1
SCHEMBL4507471 0.72 OPRD1 (0.47) OPRD1OPRM1HPGDGUSBUSP2
SCHEMBL4517006 0.69 OPRD1 (0.45) OPRD1OPRM1HPGDMEN1POLB
SCHEMBL4519813 0.69 OPRD1 (0.45) OPRD1OPRM1HPGDMEN1POLB
SCHEMBL5196626 0.69 OPRD1 (0.43) OPRD1OPRM1HPGDMEN1KMT2A
SCHEMBL4518730 0.69 OPRD1 (0.44) OPRD1OPRM1HPGDMEN1POLB
SCHEMBL490270 0.68 OPRD1 (0.48) OPRD1OPRM1USP2MEN1KMT2A
SCHEMBL4511427 0.67 OPRM1 (0.43) OPRD1OPRM1HPGDMEN1KMT2A

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-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP claimed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed