SCHEMBL10143508

SCHEMBL10143508

COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCN(c4ccccn4)CC3)n2)cc1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GALR1 P47211 9/20 0.85
▸ GALR2 O43603 15/20 0.80
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ AURKA O14965 1/20 0.50

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
SCHEMBL10143512 0.97 GALR1 (0.81) GALR1GALR2ALDH1A1MAPTMAPK1
SCHEMBL10143488 0.92 GALR1 (1.00) GALR1GALR2
SCHEMBL10143486 0.89 GALR2 (1.00) GALR1GALR2MAPTMAPK1AURKA
SCHEMBL10143749 0.88 GALR1 (0.77) GALR1GALR2AURKA
SCHEMBL10143489 0.88 GALR2 (0.83) GALR1GALR2AURKA
SCHEMBL10144179 0.88 GALR2 (0.98) GALR1GALR2
SCHEMBL10143623 0.87 GALR2 (1.00) GALR1GALR2
SCHEMBL10143433 0.87 GALR2 (1.00) GALR1GALR2
SCHEMBL10143601 0.87 GALR2 (1.00) GALR1GALR2
SCHEMBL10143491 0.85 GALR2 (0.82) GALR1GALR2AURKA

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
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