SCHEMBL25576129

SCHEMBL25576129

CCOC(=O)[C@H](C)Cc1ccc(C2CCC3(CC2)OCCO3)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 11/20 0.45
OPRD1 P41143 2/20 0.37
MAPK1 P28482 1/20 0.37
P2RX3 P56373 1/20 0.36
OPRL1 P41146 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL25214923 1.00 C5AR1 (0.45) C5AR1OPRD1MAPK1P2RX3OPRL1
SCHEMBL30469200 1.00 C5AR1 (0.45) C5AR1OPRD1MAPK1P2RX3OPRL1
SCHEMBL25576131 1.00 C5AR1 (0.45) C5AR1OPRD1MAPK1P2RX3OPRL1
SCHEMBL30469182 1.00 C5AR1 (0.45) C5AR1OPRD1MAPK1P2RX3OPRL1
SCHEMBL30469180 1.00 C5AR1 (0.45) C5AR1OPRD1MAPK1P2RX3OPRL1
SCHEMBL25236450 0.87 C5AR1 (0.41) C5AR1OPRD1P2RX3OPRL1
SCHEMBL25236451 0.87 C5AR1 (0.41) C5AR1OPRD1P2RX3OPRL1
SCHEMBL25213573 0.87 C5AR1 (0.41) C5AR1OPRD1P2RX3OPRL1
SCHEMBL25218889 0.80 TRPV3 (0.38) C5AR1OPRD1OPRL1PDE10A
SCHEMBL31067853 0.80 TRPV3 (0.38) C5AR1OPRD1OPRL1PDE10A

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-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed