SCHEMBL8892471

SCHEMBL8892471

CCCN1CN(CC(=O)O)C(=O)C12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.55
NPC1L1 Q9UHC9 7/20 0.47
CCR5 P51681 2/20 0.38
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
DDR1 Q08345 3/20 0.36
OPRD1 P41143 1/20 0.36
USP30 Q70CQ3 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8893501 0.89 BDKRB2 (0.53) BDKRB2NPC1L1CCR5OPRK1OPRM1
SCHEMBL8894056 0.83 BDKRB2 (0.59) BDKRB2NPC1L1
SCHEMBL1855447 0.79 NPC1L1 (0.70) BDKRB2NPC1L1OPRK1OPRM1DDR1
SCHEMBL8894874 0.78 BDKRB2 (0.57) BDKRB2NPC1L1DDR1
SCHEMBL8897218 0.78 NPC1L1 (0.60) BDKRB2NPC1L1OPRK1OPRM1DDR1
SCHEMBL8894157 0.76 NPC1L1 (0.59) BDKRB2NPC1L1OPRK1OPRM1DDR1
SCHEMBL8893424 0.75 CCR5 (0.51) NPC1L1CCR5OPRK1OPRM1OPRD1
SCHEMBL4130653 0.74 CCR5 (0.39) NPC1L1CCR5USP30USP2SMN1; SMN2
SCHEMBL8910702 0.73 BDKRB2 (0.52) BDKRB2NPC1L1OPRK1OPRM1OPRD1
SCHEMBL5134060 0.71 GRIN2B (0.49) BDKRB2NPC1L1CCR5DDR1USP30

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