SCHEMBL2515344

SCHEMBL2515344

COc1cc(C2CCCCn3nc(N)nc32)ccc1-c1nc(C)no1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.61
PSEN2 P49810 6/20 0.61
APH1B Q8WW43 6/20 0.61
NCSTN Q92542 6/20 0.61
APH1A Q96BI3 6/20 0.61
PSENEN Q9NZ42 6/20 0.61
OPRK1 P41145 9/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CHEK1 O14757 1/20 0.35

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
SCHEMBL964276 0.79 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2515341 0.76 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964682 0.69 ACHE (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL136503 0.67 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2256419 0.64 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4854918 0.64 CHEK1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21886900 0.64 RIPK1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL238032 0.64 POLB (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15062311 0.63 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2275154 0.62 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP claimed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO claimed