SCHEMBL6896012

SCHEMBL6896012

CC(C)CCNC(c1cc(F)cc(F)c1)[C@H](N)[C@@H](C)O

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL6893793 0.85 CYP3A4 (0.33)
SCHEMBL6887515 0.83 CES2 (0.32)
SCHEMBL6887766 0.81 ALDH1A1 (0.33)
SCHEMBL6895046 0.81 IDO1 (0.33)
SCHEMBL6893114 0.80 SIGMAR1 (0.42)
SCHEMBL6894568 0.79 CYP3A4 (0.44) HTR2A
SCHEMBL6895217 0.76 SIGMAR1 (0.40)
SCHEMBL6887288 0.75 PDPK1 (0.43)
SCHEMBL6887215 0.74 MAOB (0.41)
SCHEMBL6891167 0.73 TACR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed