SCHEMBL29087771

SCHEMBL29087771

N#Cc1cccc(CN2C[C@@H](CC(=O)O)C[C@H](c3ccc(C(F)(F)F)cc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
CLPP Q16740 2/20 0.48
TACR1 P25103 1/20 0.44
FAAH O00519 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM5 P08912 1/20 0.41
S1PR5 Q9H228 4/20 0.40
S1PR1 P21453 3/20 0.40
GRK5 P34947 1/20 0.40
CDK8 P49336 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
SLC2A1 P11166 1/20 0.40
CCR3 P51677 1/20 0.40
GPR6 P46095 1/20 0.40
PDGFRA P16234 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL29087769 1.00 L3MBTL1 (0.48) L3MBTL1CLPPTACR1FAAHCHRM2
SCHEMBL30646813 1.00 L3MBTL1 (0.48) L3MBTL1CLPPTACR1FAAHCHRM2
SCHEMBL30646802 0.91 CLPP (0.44) L3MBTL1CLPPFAAHS1PR5S1PR1
SCHEMBL29087688 0.91 CLPP (0.44) L3MBTL1CLPPFAAHS1PR5S1PR1
SCHEMBL29087684 0.91 CLPP (0.44) L3MBTL1CLPPFAAHS1PR5S1PR1
SCHEMBL29087728 0.88 USP2 (0.45) FAAHCHRM2CHRM1CHRM3CHRM5
SCHEMBL29087725 0.88 USP2 (0.45) FAAHCHRM2CHRM1CHRM3CHRM5
SCHEMBL30646800 0.88 USP2 (0.45) FAAHCHRM2CHRM1CHRM3CHRM5
SCHEMBL29617640 0.88 S1PR5 (0.52) FAAHCHRM2CHRM1CHRM3CHRM5
SCHEMBL29087681 0.86 CHRM2 (0.52) TACR1FAAHCHRM2CHRM1CHRM3

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-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed