SCHEMBL23977883

SCHEMBL23977883

C=C(OC)[C@@H](Oc1cccc(C)n1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GRM5 P41594 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
RAB9A P51151 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
FDPS P14324 1/20 0.31
FDFT1 P37268 1/20 0.31
CCR5 P51681 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL26453317 0.71 RXRA (0.33) MAPK1GAAMEN1KMT2AGRM5
SCHEMBL15832227 0.69 CCR1 (0.43) MEN1KMT2AGRM5RAB9AASIC3
SCHEMBL22811906 0.68 CCR1 (0.41) MEN1KMT2AGRM5RAB9AASIC3
SCHEMBL12093748 0.67 GRM5 (0.47) MEN1KMT2AGRM5RAB9ACCR1
SCHEMBL30072637 0.67 GRM5 (0.47) MEN1KMT2AGRM5RAB9ACCR1
SCHEMBL23977885 0.67 RXRA (0.32) GRM5CCR1CCR8CCR5
SCHEMBL13680498 0.66 CCR1 (0.43) MAPK1GAAMEN1KMT2AGRM5
SCHEMBL14897540 0.65 CCR1 (0.39) MEN1KMT2AGRM5RAB9ACCR1
SCHEMBL31424083 0.65 KMT2A (0.46) MAPK1MEN1KMT2AGRM5RAB9A
SCHEMBL128705 0.64

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-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 WO disclosed