SCHEMBL8893361

SCHEMBL8893361

O=C1N=CN(CC2CCCCC2)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.48
OPRM1 P35372 5/20 0.48
OPRK1 P41145 5/20 0.48
OPRD1 P41143 2/20 0.48
BACE1 P56817 3/20 0.47
CCR5 P51681 1/20 0.42
CLPP Q16740 1/20 0.42

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
SCHEMBL8894685 0.79 CXCR3 (0.47) OPRL1OPRM1OPRK1OPRD1CCR5
SCHEMBL7706497 0.74 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1BACE1
SCHEMBL14573344 0.73 SLC6A9 (0.61) OPRL1OPRM1
SCHEMBL8176746 0.73 SIGMAR1 (0.62) OPRL1OPRM1OPRK1
SCHEMBL7706380 0.71 DRD4 (0.50) OPRL1OPRM1OPRK1OPRD1
SCHEMBL7701290 0.70 LMNA (0.50) OPRL1OPRM1OPRK1OPRD1
SCHEMBL7701370 0.70 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1CCR5
SCHEMBL5556020 0.70 DRD2 (0.47) OPRL1OPRM1OPRK1OPRD1BACE1
SCHEMBL20187119 0.70 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1CCR5
SCHEMBL16876782 0.70 CHRNA7 (0.47) OPRL1OPRM1OPRK1OPRD1

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
US-5610142-A Bradykinin antagonist pseudopeptide derivatives of substituted 4-keto-1,3,8-triazaspiro[4.5]decan-3-alkanoic acids SCIOS INC. (US) 1997-03-11 US disclosed