SCHEMBL30399466

SCHEMBL30399466

C[C@@H](O)c1ccc(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.46
KCNH2 Q12809 2/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.41
CXCR3 P49682 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2295810 1.00 PDE2A (0.46) PDE2AKCNH2HTTLMNATP53
SCHEMBL6098429 1.00 PDE2A (0.46) PDE2AKCNH2HTTLMNATP53
SCHEMBL29924355 1.00 PDE2A (0.46) PDE2AKCNH2HTTLMNATP53
SCHEMBL17215353 1.00 PDE2A (0.46) PDE2AKCNH2HTTLMNATP53
SCHEMBL23489755 0.85 KCNH2 (0.46) PDE2AKCNH2HTTLMNATP53
SCHEMBL20238442 0.85 KCNH2 (0.46) PDE2AKCNH2HTTLMNATP53
SCHEMBL20238444 0.85 KCNH2 (0.46) PDE2AKCNH2HTTLMNATP53
SCHEMBL84107 0.83 LMNA (0.47) PDE2AKCNH2HTTLMNATP53
SCHEMBL1350237 0.83 KCNH2 (0.45) PDE2AKCNH2HTTLMNATP53
SCHEMBL22852398 0.83 KCNH2 (0.45) PDE2AKCNH2HTTLMNATP53

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-109789146-B Chemokine receptor modulators and uses thereof 拉普特医疗公司 2023-04-18 CN disclosed