SCHEMBL14282425

SCHEMBL14282425

O=c1c(Oc2ccc(-c3cccc(CO)c3)cc2)c(N2CCNCC2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 13/20 0.46
MCHR1 Q99705 8/20 0.44
ADRB2 P07550 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
LTA4H P09960 2/20 0.40
TGFB2 P61812 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL14282426 0.91 NPBWR1 (0.55) NPBWR1MCHR1HTR2AHTR2BHTR6
SCHEMBL14282420 0.88 LMNA (0.45) NPBWR1MCHR1LMNATP53
SCHEMBL14282448 0.88 CHRM3 (0.44) NPBWR1MCHR1ADRB2DRD2HTR1D
SCHEMBL14282479 0.88 NPBWR1 (0.46) NPBWR1MCHR1ALDH1A1
SCHEMBL4779571 0.87 NPBWR1 (0.58) NPBWR1MCHR1HTR2AHTR2BHTR6
SCHEMBL14282280 0.85 NPBWR1 (0.53) NPBWR1MCHR1HTR2AHTR2BHTR6
SCHEMBL14282424 0.84 NPBWR1 (0.45) NPBWR1MCHR1LTA4HCYP1A2CYP3A4
SCHEMBL14221034 0.83 NPBWR1 (0.51) NPBWR1MCHR1CYP1A2CYP3A4CYP2C9
SCHEMBL4649285 0.83 NPBWR1 (0.53) NPBWR1MCHR1HTR2AHTR2BHTR6
SCHEMBL14282405 0.82 LMNA (0.44) NPBWR1MCHR1LMNATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed