SCHEMBL6894401

SCHEMBL6894401

CC(C)Oc1cccc(CNC(c2cc(F)cc(F)c2)[C@H](N)[C@@H](C)O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
SCN9A Q15858 1/20 0.38
FFAR1 O14842 2/20 0.36
BACE1 P56817 3/20 0.36
HDAC4 P56524 1/20 0.36
MEF2D Q14814 1/20 0.36
DHFR P00374 1/20 0.35
CETP P11597 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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 0.90 TAAR1 (0.46) MEN1KMT2ABACE1
SCHEMBL6887215 0.86 MAOB (0.41) MAOBMAOASCN9ABACE1
SCHEMBL5578711 0.84 BACE1 (0.35) MEN1KMT2AMAOBMAOASCN9A
SCHEMBL6895217 0.83 SIGMAR1 (0.40) MEN1KMT2AMAOBMAOASCN9A
SCHEMBL6889713 0.83 MEN1 (0.40) MEN1KMT2ABACE1
SCHEMBL6895816 0.81 HTR2A (0.48)
SCHEMBL6895046 0.80 IDO1 (0.33) MAOBMAOASCN9ABACE1ADRB1
SCHEMBL6891167 0.80 TACR1 (0.36) MEN1KMT2A
SCHEMBL165645 0.77 CASR (0.57) MEN1KMT2A
SCHEMBL4692485 0.77 CASR (0.57) MEN1KMT2A

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