SCHEMBL29132216

SCHEMBL29132216

COC(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GPR119 Q8TDV5 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
MAPT P10636 3/20 0.41
STS P08842 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 4/20 0.41
ACKR3 P25106 3/20 0.41

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
SCHEMBL25231850 0.88 CHRM2 (0.45) ALDH1A1GPR119CHRM2CHRM4CHRM1
SCHEMBL22166944 0.83 ACHE (0.48) NR1H2ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL18291473 0.82 CHRM2 (0.46) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL24765850 0.82 VEGFA (0.48) ALDH1A1GPR119CHRM2CHRM4CHRM1
SCHEMBL29132115 0.80 CHRM2 (0.44) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL30893463 0.80 GPR119 (0.52) NR1H2ALDH1A1GPR119MAPTLMNA
SCHEMBL23960996 0.80 GPR119 (0.52) NR1H2ALDH1A1GPR119MAPTLMNA
SCHEMBL22166943 0.79 VEGFA (0.44) NR1H2ALDH1A1VEGFAEGLN1STS
SCHEMBL17481790 0.79 ACKR3 (0.42) NR1H2ALDH1A1GPR119CHRM2CHRM4
SCHEMBL27169461 0.78 SCD (0.45) ALDH1A1GPR119MAPTNPC1MAPK1

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-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed