SCHEMBL6891167

SCHEMBL6891167

COc1cc(CNC(c2cc(F)cc(F)c2)[C@H](N)[C@@H](C)O)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NR3C2 P08235 2/20 0.33
ADRB2 P07550 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASR P41180 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL6894740 0.88 TAAR1 (0.46) ALDH1A1ADRB2MEN1KMT2ACASR
SCHEMBL6895046 0.88 IDO1 (0.33)
SCHEMBL6895217 0.81 SIGMAR1 (0.40) ALDH1A1ADRB2MEN1KMT2ACASR
SCHEMBL6894401 0.80 MEN1 (0.39) MEN1KMT2A
SCHEMBL6887215 0.79 MAOB (0.41)
SCHEMBL6892044 0.78 LMNA (0.38) ALDH1A1MEN1KMT2A
SCHEMBL6887515 0.77 CES2 (0.32) ADRB2
SCHEMBL6888146 0.77 GBA1 (0.34) ALDH1A1TSHRKMT2A
SCHEMBL5578711 0.77 BACE1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL6889713 0.76 MEN1 (0.40) MEN1KMT2ATAAR1

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