SCHEMBL29050262

SCHEMBL29050262

CN(C)CCn1ccc2cc(C(=O)O)ccc21.[LiH]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.54
HTR2A P28223 3/20 0.54
HTR6 P50406 3/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLA2G4A P47712 2/20 0.46
HTR1D P28221 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
EPHX2 P34913 1/20 0.44
BPTF Q12830 1/20 0.44
CSNK2A1 P68400 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42

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
SCHEMBL6752488 0.99 HTR2C (0.55) HTR2CHTR2AHTR6PLGPLAU
Lithium SCHEMBL30527867 0.97 HTR2C (0.54) HTR2CHTR2AHTR6PLGPLAU
SCHEMBL6754275 0.90 PLG (0.51) HTR2CHTR2APLGPLAUPLA2G4A
SCHEMBL18960579 0.89 HTR2C (0.56) HTR2CHTR2AHTR6PLGPLAU
SCHEMBL30443765 0.87 HTR2C (0.58) HTR2CHTR2AHTR6HTR1DNOS3
Lithium Ion SCHEMBL27175191 0.85 HTR2C (0.52) HTR2CHTR2AHTR6PLGPLAU
SCHEMBL16741925 0.84 HTR2A (0.54) HTR2CHTR2AHTR6PLGPLAU
SCHEMBL30527841 0.84 HTR2A (0.54) HTR2CHTR2AHTR6PLGPLAU
SCHEMBL4934703 0.82 PLA2G4A (0.55) PLGPLAUPLA2G4AALDH1A1RAPGEF4
SCHEMBL1663734 0.81 TP53 (0.47) PLGPLAUPLA2G4AALDH1A1BPTF

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-116568303-A Dihydrofuranopyridine derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-08-08 CN disclosed