SCHEMBL10143602

SCHEMBL10143602

Nc1cc(Cl)nc(N2CCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.54
NCF1 P14598 1/20 0.42
ALDH1A1 P00352 5/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HRH1 P35367 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL10143604 0.98 HRH4 (0.53) HRH4NCF1ALDH1A1CASP1CASP4
SCHEMBL10377507 0.86 HRH4 (0.62) HRH4NCF1ALDH1A1CASP1CASP4
SCHEMBL1697668 0.86 CASP1 (0.48) HRH4ALDH1A1CASP1CASP4CASP5
SCHEMBL244109 0.84 MAPT (0.57) NCF1ALDH1A1HTTKDM4EGLA
SCHEMBL9163347 0.84 CASP1 (0.50) HRH4NCF1ALDH1A1CASP1CASP4
SCHEMBL1458548 0.84 HRH4 (0.61) HRH4NCF1ALDH1A1CASP1CASP4
SCHEMBL30296930 0.84 HRH4 (0.61) HRH4NCF1ALDH1A1CASP1CASP4
SCHEMBL15334687 0.84 SMN1; SMN2 (0.48) ALDH1A1CASP1CASP4CASP5POLB
SCHEMBL7833457 0.81 CASP1 (0.44) ALDH1A1CASP1CASP4CASP5HTT
SCHEMBL9884998 0.79 DKK1 (0.41) HRH4

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
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO disclosed