SCHEMBL10143563

SCHEMBL10143563

COc1ccc(Nc2cc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 14/20 1.00
GALR1 P47211 13/20 1.00
ABCB1 P08183 1/20 0.56
ABCC1 P33527 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL10143593 0.90 GALR2 (0.82) GALR2GALR1MAPT
SCHEMBL10143748 0.88 GALR2 (0.78) GALR2GALR1ABCB1ABCC1ABCG2
SCHEMBL10143796 0.83 GALR2 (1.00) GALR2GALR1MEN1NPC1ALDH1A1
SCHEMBL12195667 0.81 GALR2 (0.68) GALR2GALR1ABCB1ABCC1ABCG2
SCHEMBL10144350 0.78 GALR2 (0.72) GALR2GALR1ALDH1A1MAPTKMT2A
SCHEMBL3451519 0.78 GALR1 (0.63) GALR2GALR1ABCB1ABCC1ABCG2
SCHEMBL10143418 0.77 GALR2 (0.86) GALR2GALR1MEN1NPC1ALDH1A1
SCHEMBL10144388 0.77 GALR2 (1.00) GALR2GALR1MEN1NPC1MAPT
SCHEMBL10144392 0.77 GALR2 (1.00) GALR2GALR1MEN1MAPTHTT
SCHEMBL10143433 0.77 GALR2 (1.00) 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