SCHEMBL22352137

SCHEMBL22352137

CSP(=O)(O)OCC1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.52
POLB P06746 1/20 0.51
P2RY1 P47900 5/20 0.51
P2RY2 P41231 3/20 0.51
SRC P12931 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
DNPH1 O43598 1/20 0.51
PRKAB2 O43741 1/20 0.51
TRPM2 O94759 1/20 0.51
LDHA P00338 1/20 0.51
ADRB2 P07550 1/20 0.51
FBP1 P09467 1/20 0.51
ADORA1 P30542 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PDE3A Q14432 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51

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
SCHEMBL21343491 1.00 BCHE (0.52) BCHEPOLBP2RY1P2RY2SRC
SCHEMBL22351989 1.00 BCHE (0.52) BCHEPOLBP2RY1P2RY2SRC
SCHEMBL18822991 0.91 POLB (0.51) BCHEPOLBP2RY1P2RY2SRC
SCHEMBL21894145 0.90 BCHE (0.53) BCHEPOLBP2RY1P2RY2SRC
SCHEMBL19636108 0.90 BCHE (0.53) BCHEPOLBP2RY1P2RY2SRC
SCHEMBL21251592 0.90 BCHE (0.53) BCHEPOLBP2RY1P2RY2SRC
SCHEMBL20225051 0.90 P2RY1 (0.62) POLBP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL20225019 0.90 P2RY1 (0.62) POLBP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL20959779 0.90 P2RY1 (0.62) POLBP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18837728 0.90 P2RY1 (0.62) POLBP2RY1P2RY2SRCSMN1; SMN2

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-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 WO disclosed