SCHEMBL10143607

SCHEMBL10143607

Nc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.81
CASP1 P29466 5/20 0.61
CASP5 P51878 5/20 0.61
CASP4 P49662 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
GBA1 P04062 1/20 0.46
NUDT1 P36639 2/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10377525 0.98 HRH4 (0.78) HRH4CASP1CASP5CASP4SMN1; SMN2
Hydrochloric Acid SCHEMBL11268605 0.96 HRH4 (0.76) HRH4CASP1CASP5CASP4SMN1; SMN2
SCHEMBL8891695 0.88 CASP1 (0.78) HRH4CASP1CASP5CASP4SMN1; SMN2
SCHEMBL8900887 0.88 CASP1 (0.78) HRH4CASP1CASP5CASP4SMN1; SMN2
SCHEMBL10377507 0.87 HRH4 (0.62) HRH4CASP1CASP5CASP4SMN1; SMN2
SCHEMBL1458548 0.85 HRH4 (0.61) HRH4CASP1CASP5CASP4SMN1; SMN2
SCHEMBL30296930 0.85 HRH4 (0.61) HRH4CASP1CASP5CASP4SMN1; SMN2
SCHEMBL29754406 0.85 CASP1 (0.80) HRH4CASP1CASP5CASP4SMN1; SMN2
SCHEMBL10375476 0.83 HRH4 (0.59) HRH4CASP1CASP5CASP4HRH3
SCHEMBL3289509 0.83 KMT2A (0.65) HRH4SMN1; SMN2CRHBPCRHR2CYP1A2

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