SCHEMBL3412255

SCHEMBL3412255

COc1cc(Nc2cc(C)nc(N3CCCC3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 5/20 0.51
MAPK1 P28482 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
GALR1 P47211 4/20 0.49
ROCK2 O75116 5/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PIK3CG P48736 1/20 0.43
ROCK1 Q13464 2/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL3410125 0.99 GALR2 (0.51) GALR2MAPK1TAAR1GALR1ROCK2
SCHEMBL3411061 0.82 SLC2A1 (0.48) GALR2MAPK1GALR1MAPTKDM4E
SCHEMBL3406844 0.81 GALR2 (0.48) GALR2MAPK1GALR1MAPTKDM4E
SCHEMBL3410260 0.78 NPC1 (0.53) MAPK1MAPTKDM4EBRD4
SCHEMBL4097822 0.78 PSEN1 (0.56) GALR2MAPK1TAAR1GALR1
SCHEMBL3410953 0.77 ABCB1 (0.44) MAPTPOLBTP53
SCHEMBL4101337 0.77 PSEN1 (0.57) GALR2MAPK1TAAR1GALR1
SCHEMBL3412202 0.76 MAPT (0.42) GALR2MAPTPOLBTP53BRD4
SCHEMBL3412595 0.75 MAPT (0.41) MAPTLMNAPOLBTP53
SCHEMBL3410452 0.75 BRAF (0.44) GALR2GALR1MAPTPOLBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed