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SCHEMBL4670543

SCHEMBL4670543

Cc1ccc(-n2ncc(N3CCN(C(=O)O)CC3)c(Oc3ccc(-c4ccc(O)cc4)cc3)c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 16/20 0.59
▸ MCHR1 Q99705 13/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DCTPP1 Q9H773 1/20 0.42
▸ RXFP1 Q9HBX9 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
SCHEMBL4672514 0.90 NPBWR1 (0.47) NPBWR1MCHR1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4670179 0.89 NPBWR1 (0.62) NPBWR1MCHR1NPSR1SMN1; SMN2
SCHEMBL4930954 0.89 NPBWR1 (0.55) NPBWR1MCHR1NPSR1
SCHEMBL14282347 0.86 MCHR1 (0.56) NPBWR1MCHR1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4900987 0.86 NPBWR1 (0.59) NPBWR1MCHR1NPSR1
SCHEMBL14282364 0.86 NPBWR1 (0.61) NPBWR1MCHR1NPSR1
SCHEMBL14282362 0.86 MCHR1 (0.55) NPBWR1MCHR1NPSR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4674011 0.86 NPBWR1 (0.58) NPBWR1MCHR1NPSR1
SCHEMBL14282348 0.84 NPBWR1 (0.48) NPBWR1MCHR1NPSR1ALDH1A1
SCHEMBL14282378 0.84 NPBWR1 (0.53) NPBWR1MCHR1NPSR1ALDH1A1SMN1; SMN2

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
EP-1497269-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2008-04-23 — — EP disclosed