SCHEMBL8910702

SCHEMBL8910702

CCCCOC(=O)N1CCC2(CC1)C(=O)N(CC(=O)OC)CN2CCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.52
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRL1 P41146 4/20 0.37
OPRK1 P41145 4/20 0.37
OPRM1 P35372 3/20 0.37
OPRD1 P41143 2/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
NPC1L1 Q9UHC9 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD5 P21918 1/20 0.34

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
SCHEMBL31465625 0.74 LMNA (0.55) LMNAPOLBSMN1; SMN2KMT2AHRH2
SCHEMBL8892471 0.73 BDKRB2 (0.55) BDKRB2SMN1; SMN2OPRK1OPRM1OPRD1
SCHEMBL14080050 0.69 LMNA (0.52) LMNAPOLBSMN1; SMN2OPRK1OPRD1
SCHEMBL4725898 0.69 POLB (0.55) LMNAPOLBSMN1; SMN2OPRK1OPRD1
SCHEMBL20919688 0.68 LMNA (0.54) LMNAPOLBSMN1; SMN2OPRK1OPRD1
SCHEMBL17144281 0.67 SMN1; SMN2 (0.50) LMNAPOLBSMN1; SMN2OPRK1OPRM1
SCHEMBL9405372 0.67 POLB (0.73) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL17140529 0.67 LMNA (0.41) BDKRB2LMNAPOLBSMN1; SMN2OPRK1
SCHEMBL22345594 0.67 SMN1; SMN2 (0.52) LMNAPOLBSMN1; SMN2OPRK1OPRD1
SCHEMBL17144637 0.67 LMNA (0.52) LMNAPOLBSMN1; SMN2OPRK1OPRD1

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