SCHEMBL10143745

SCHEMBL10143745

COc1ccc(Nc2nc(Nc3cc(C)ccc3C)nc(N3CCCCC3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 6/20 0.73
MAPT P10636 8/20 0.59
MAPK1 P28482 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
GBA1 P04062 1/20 0.59
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GALR1 P47211 1/20 0.55
LMNA P02545 5/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.52

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
SCHEMBL10143600 0.92 GALR2 (0.63) GALR2MAPTMAPK1TDP1GBA1
SCHEMBL10143494 0.90 MAPT (0.61) GALR2MAPTMAPK1TDP1GBA1
SCHEMBL10143492 0.89 GALR2 (0.59) GALR2MAPTMAPK1TDP1GBA1
SCHEMBL10143650 0.89 CTSL (0.61) GALR2MAPTMAPK1TDP1GBA1
SCHEMBL10143739 0.89 GALR2 (0.58) GALR2MAPTMAPK1TDP1GBA1
SCHEMBL10143595 0.89 GALR2 (0.58) GALR2MAPTMAPK1TDP1GBA1
SCHEMBL10143641 0.88 MAPT (0.59) GALR2MAPTMAPK1TDP1GBA1
SCHEMBL10143391 0.84 GALR2 (1.00) GALR2GALR1
SCHEMBL14503015 0.83 MEN1 (0.75) GALR2MAPTMAPK1TDP1GBA1
SCHEMBL10143490 0.83 GALR2 (0.52) GALR2MAPTMAPK1TDP1GBA1

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