SCHEMBL10143622

SCHEMBL10143622

COc1ccc(Nc2cc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3CCCC3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 16/20 0.77
GALR1 P47211 8/20 0.69
MAPK1 P28482 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GBA1 P04062 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL10143412 0.96 GALR2 (0.74) GALR2GALR1MAPK1TAAR1KDM4E
SCHEMBL10144392 0.88 GALR2 (1.00) GALR2GALR1MAPK1TAAR1KDM4E
SCHEMBL10144345 0.87 GALR2 (0.71) GALR2GALR1KDM4EALDH1A1HPGD
SCHEMBL10143419 0.86 GALR2 (0.81) GALR2GALR1MAPK1TAAR1KDM4E
SCHEMBL10143796 0.82 GALR2 (1.00) GALR2GALR1MAPK1TAAR1ALDH1A1
SCHEMBL10144390 0.81 GALR2 (0.81) GALR2GALR1MAPK1TAAR1GBA1
SCHEMBL10143409 0.81 GALR2 (0.82) GALR2GALR1MAPK1TAAR1GBA1
SCHEMBL10144388 0.80 GALR2 (1.00) GALR2GALR1MAPK1TAAR1GBA1
SCHEMBL10143418 0.80 GALR2 (0.86) GALR2GALR1MAPK1TAAR1KDM4E
SCHEMBL10144177 0.80 GALR2 (0.82) GALR2GALR1MAPK1TAAR1GBA1

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