SCHEMBL10143754

SCHEMBL10143754

COc1ccc(Nc2nc(Nc3cc(C)ccc3C)cc(N3CCCNCC3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 15/20 0.82
GALR1 P47211 5/20 0.53
AURKA O14965 2/20 0.52
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL10143469 0.96 GALR2 (0.82) GALR2GALR1AURKACTSLCTSB
SCHEMBL10143391 0.91 GALR2 (1.00) GALR2GALR1AURKA
SCHEMBL10143662 0.85 GALR2 (0.82) GALR2GALR1AURKA
SCHEMBL10143487 0.85 GALR2 (0.82) GALR2GALR1AURKACTSLCTSB
SCHEMBL10143455 0.84 GALR2 (0.80) GALR2GALR1AURKA
SCHEMBL10143474 0.84 GALR2 (0.86) GALR2GALR1AURKA
SCHEMBL10143741 0.83 GALR2 (0.79) GALR2GALR1AURKA
SCHEMBL10143461 0.83 GALR2 (0.78) GALR2GALR1AURKA
SCHEMBL10143393 0.83 GALR2 (1.00) GALR2GALR1AURKA
SCHEMBL10143620 0.83 GALR2 (0.78) GALR2GALR1AURKA

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