SCHEMBL6305709

SCHEMBL6305709

O=C1Nc2ccccc2-c2ccccc2C1CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
IDO1 P14902 3/20 0.45
GSK3B P49841 2/20 0.41
TDO2 P48775 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38
HTR2A P28223 1/20 0.37
TSHR P16473 1/20 0.37
HTR5A P47898 1/20 0.37
BRPF1 P55201 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL6305368 0.83 IDO1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8292984 0.80 IDO1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4552155 0.76 IDO1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10109761 0.71 IDO1 (0.58) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL13803044 0.71 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6305363 0.71 HTR2A (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3157916 0.70 IDO1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8294613 0.70 BRPF1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3163873 0.70 IDO1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4115729 0.70 IDO1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958330-B1 Polycyclic α-amino-ε-caprolactams and related compounds ELAN PHARMACEUTICALS, INC. (US) 2005-10-25 US disclosed