SCHEMBL27433869

SCHEMBL27433869

COC(=O)c1c(F)c(Cl)cc2c1OCCN2CCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.37
HSP90AA1 P07900 1/20 0.34
HTR4 Q13639 2/20 0.33
LMNA P02545 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPY5R Q15761 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NOTUM Q6P988 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL30954098 1.00 ENPP2 (0.37) ENPP2HSP90AA1HTR4LMNALIPG
SCHEMBL30954073 0.89 HSP90AA1 (0.35) HSP90AA1HTR4LMNALIPGMAPT
SCHEMBL27433875 0.89 HSP90AA1 (0.35) HSP90AA1HTR4LMNALIPGMAPT
SCHEMBL27434153 0.88 ENPP2 (0.36) ENPP2HTR4LMNAMAPTTSHR
SCHEMBL30954089 0.88 ENPP2 (0.36) ENPP2HTR4LMNAMAPTTSHR
SCHEMBL30954142 0.85 CHRM5 (0.38) ENPP2LMNAMAPTTSHRSMN1; SMN2
SCHEMBL27434007 0.85 CHRM5 (0.38) ENPP2LMNAMAPTTSHRSMN1; SMN2
SCHEMBL27434320 0.84 ENPP2 (0.36) ENPP2LMNALIPGPKMMAPT
SCHEMBL30954129 0.81 HTR4 (0.36) ENPP2HTR4LMNAMAPTTSHR
SCHEMBL27434031 0.81 HTR4 (0.36) ENPP2HTR4LMNAMAPTTSHR

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-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed