SCHEMBL7976675

SCHEMBL7976675

CCC(=O)N(c1ccccc1)C(Cc1cc[n+]([O-])cc1)C1CCCNC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.35
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 1/20 0.34
OPRM1 P35372 5/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
PDE4A P27815 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
SCHEMBL5870950 0.91 OPRD1 (0.41) OPRD1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5871129 0.85 RPLP1 (0.42) OPRD1SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL5870905 0.82 CHRM1 (0.41) OPRD1
SCHEMBL7498243 0.81 OPRD1 (0.44) OPRD1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5871033 0.81 OPRD1 (0.44) OPRD1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7503837 0.81 OPRD1 (0.44) OPRD1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5871054 0.80 CHRM2 (0.39) KMT2ASLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL7501264 0.79 OPRD1 (0.42) OPRD1KMT2ASLC6A3OPRM1SIGMAR1
SCHEMBL3278539 0.79 TRPM8 (0.46) OPRD1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3273608 0.79 TRPM8 (0.46) OPRD1KMT2ASLC6A2SLC6A4SLC6A3

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-2001092226-A1 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF SEPRACOR, INC. (US) 2001-12-06 WO disclosed