SCHEMBL2515341

SCHEMBL2515341

COc1cc(C2CCCCc3nc(N)nn32)ccc1-c1nc(C)no1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 3/20 0.36
OPRK1 P41145 10/20 0.35
CHEK1 O14757 1/20 0.35
TSHR P16473 1/20 0.34
PDE7A Q13946 1/20 0.33
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2515344 0.76 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964682 0.69 ACHE (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2257832 0.64 L3MBTL1 (0.45) ALDH1A1KDM4ERAB9A
SCHEMBL4854918 0.64 CHEK1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14600785 0.61 S1PR1 (0.44) ALDH1A1CHEK1TSHRS1PR1KDM4E
SCHEMBL5660762 0.61 RAB9A (0.61) ALDH1A1TSHRS1PR1KDM4ENPC1
SCHEMBL18031476 0.60 KMT2A (0.54) ALDH1A1CHEK1TSHRKDM4ENPC1
SCHEMBL18031477 0.60 MAPT (0.53) ALDH1A1CHEK1KDM4ENPC1HPGD
SCHEMBL960534 0.59 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7398220 0.59 ACHE (0.47) ALDH1A1KDM4ENPC1RAB9AHSD17B10

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