SCHEMBL10143486

SCHEMBL10143486

COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCN(c4ccccc4)CC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 15/20 1.00
▸ GALR1 P47211 9/20 1.00
▸ AURKA O14965 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL10143489 0.89 GALR2 (0.83) GALR2GALR1AURKA
SCHEMBL10144179 0.89 GALR2 (0.98) GALR2GALR1
SCHEMBL10143508 0.89 GALR1 (0.85) GALR2GALR1AURKAMAPTMAPK1
SCHEMBL10143433 0.88 GALR2 (1.00) GALR2GALR1
SCHEMBL10143623 0.88 GALR2 (1.00) GALR2GALR1
SCHEMBL10143601 0.88 GALR2 (1.00) GALR2GALR1
SCHEMBL10143488 0.88 GALR1 (1.00) GALR2GALR1
SCHEMBL10143512 0.87 GALR1 (0.81) GALR2GALR1MAPTMAPK1
SCHEMBL10143491 0.87 GALR2 (0.82) GALR2GALR1AURKA
SCHEMBL10143483 0.86 GALR2 (0.75) GALR2GALR1

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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