SCHEMBL6894740

SCHEMBL6894740

COc1cccc(CNC(c2cc(F)cc(F)c2)[C@H](N)[C@@H](C)O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
CASR P41180 5/20 0.45
BACE1 P56817 3/20 0.42
ADRB2 P07550 2/20 0.42
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6894401 0.90 MEN1 (0.39) BACE1MEN1KMT2A
SCHEMBL6891167 0.88 TACR1 (0.36) TAAR1CASRADRB2ALDH1A1MEN1
SCHEMBL165645 0.87 CASR (0.57) TAAR1CASRMEN1KMT2A
SCHEMBL4692485 0.87 CASR (0.57) TAAR1CASRMEN1KMT2A
SCHEMBL6887215 0.87 MAOB (0.41) BACE1IDO1AGXT
SCHEMBL5578711 0.85 BACE1 (0.35) BACE1ALDH1A1MEN1KMT2A
SCHEMBL6895217 0.84 SIGMAR1 (0.40) CASRADRB2IDO1ALDH1A1LMNA
SCHEMBL6889713 0.84 MEN1 (0.40) TAAR1BACE1IDO1AGXTMEN1
SCHEMBL6895816 0.82 HTR2A (0.48) CASRIDO1LMNA
SCHEMBL6895046 0.81 IDO1 (0.33) BACE1IDO1

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