SCHEMBL28849423

SCHEMBL28849423

O[C@]1(c2cccs2)CCCC[C@@H]1Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.37
TRPA1 O75762 2/20 0.37
PRCP P42785 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HPGD P15428 2/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL28849438 0.81 MAPT (0.42) CHRM2CHRM1MAPTKMT2AMEN1
SCHEMBL28849437 0.77 MAPT (0.39) CHRM2CHRM1MAPTKMT2AMEN1
SCHEMBL28849453 0.77 TSHR (0.41) CHRM1MAPTKMT2AMEN1TRPA1
SCHEMBL28849430 0.77 MAPT (0.39) CHRM2CHRM1MAPTKMT2AMEN1
SCHEMBL28849440 0.77 TRPA1 (0.48) MAPTKMT2AALDH1A1MEN1TRPA1
SCHEMBL28849431 0.77 TRPA1 (0.41) MAPTKMT2AMEN1TRPA1HPGD
SCHEMBL28849416 0.76 MAPT (0.43) MAPTKMT2AALDH1A1MEN1TRPA1
SCHEMBL28849415 0.75 SLC6A4 (0.42) CHRM2CHRM1KMT2AMEN1SLC6A2
SCHEMBL9773125 0.75 DRD2 (0.52) ALDH1A1
SCHEMBL28849414 0.74 SLC6A2 (0.44) CHRM2CHRM1MAPTKMT2AALDH1A1

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-115108875-A Nitrogen-containing heteroarene chiral cyclic alcohol constructed by visible light asymmetric catalysis, and preparation method and application thereof 河南师范大学 2022-09-27 CN disclosed