SCHEMBL30646802

SCHEMBL30646802

N#Cc1cccc([C@H]2C[C@H](CC(=O)O)CN(Cc3ccc(C(F)(F)F)cc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.44
S1PR5 Q9H228 3/20 0.42
S1PR1 P21453 2/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PDGFRA P16234 1/20 0.41
USP30 Q70CQ3 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
CCR2 P41597 1/20 0.40
CHRM4 P08173 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
FAAH O00519 1/20 0.39
PDE2A O00408 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.38
CYP2D6 P10635 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
SCHEMBL29087688 1.00 CLPP (0.44) CLPPS1PR5S1PR1GRK5CDK8
SCHEMBL29087684 1.00 CLPP (0.44) CLPPS1PR5S1PR1GRK5CDK8
SCHEMBL30646813 0.91 L3MBTL1 (0.48) CLPPS1PR5S1PR1GRK5CDK8
SCHEMBL29087771 0.91 L3MBTL1 (0.48) CLPPS1PR5S1PR1GRK5CDK8
SCHEMBL29087769 0.91 L3MBTL1 (0.48) CLPPS1PR5S1PR1GRK5CDK8
SCHEMBL29087725 0.88 USP2 (0.45) CCR2CHRM4HIF1AEPAS1FAAH
SCHEMBL30646800 0.88 USP2 (0.45) CCR2CHRM4HIF1AEPAS1FAAH
SCHEMBL29087728 0.88 USP2 (0.45) CCR2CHRM4HIF1AEPAS1FAAH
SCHEMBL29617602 0.88 S1PR5 (0.52) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL29617625 0.88 CLPP (0.41) CLPPS1PR5S1PR1GRK5CDK8

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