SCHEMBL7567800

SCHEMBL7567800

CCC(=O)N(CC1CCCNC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.55
OPRD1 P41143 4/20 0.49
KMT2A Q03164 1/20 0.49
USP30 Q70CQ3 1/20 0.46
OPRM1 P35372 4/20 0.45
ACHE P22303 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 2/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44

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
SCHEMBL3035361 0.84 OPRD1 (0.50) OPRD1USP30OPRM1ACHESLC6A2
SCHEMBL8716953 0.79 GPR88 (0.53) GPR88OPRD1KMT2AUSP30OPRM1
SCHEMBL14194158 0.78 OPRM1 (0.48) GPR88OPRD1KMT2AUSP30OPRM1
Trifluoroacetic Acid SCHEMBL3039321 0.78 OPRD1 (0.52) OPRD1OPRM1ACHESLC6A2SLC6A4
SCHEMBL5870760 0.77 OPRM1 (0.54) OPRD1KMT2AOPRM1SLC6A2SLC6A4
SCHEMBL10869689 0.76 KMT2A (0.53) GPR88KMT2AUSP30SLC6A2SLC6A4
SCHEMBL7494118 0.75 KMT2A (0.45) GPR88OPRD1KMT2AUSP30OPRM1
SCHEMBL9996441 0.74 GHSR (0.48) GPR88KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3611085 0.74 GHSR (0.48) GPR88KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL6287512 0.74 KMT2A (0.45) GPR88KMT2AUSP30SLC6A2SLC6A4

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-1187810-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2002-03-20 EP disclosed
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 WO disclosed