SCHEMBL29068551

SCHEMBL29068551

NCN(C(=O)OCc1ccccc1)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.52
SIGMAR1 Q99720 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
CCR5 P51681 4/20 0.45
AGER Q15109 3/20 0.44
TSHR P16473 1/20 0.44
MTNR1A P48039 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL14975918 0.94 CCR5 (0.46) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL7801189 0.86 ENPP2 (0.55) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL27757526 0.86 ENPP2 (0.52) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL28523905 0.85 ENPP2 (0.51) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL6193454 0.85 ENPP2 (0.52) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL190556 0.84 ENPP2 (0.57) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL7813133 0.84 ENPP2 (0.51) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL22285161 0.84 ENPP2 (0.57) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL13684267 0.84 L3MBTL1 (0.63) ENPP2SIGMAR1L3MBTL1CCR5
SCHEMBL3564278 0.82 ENPP2 (0.54) ENPP2SIGMAR1L3MBTL1TSHRTRPM8

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
CN-116745277-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-09-12 CN disclosed