SCHEMBL6887215

SCHEMBL6887215

C[C@@H](O)[C@@H](N)C(NCc1cccc(F)c1)c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
SCN9A Q15858 1/20 0.41
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
ANPEP P15144 1/20 0.38
RXRA P19793 1/20 0.38
HNF4A P41235 1/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
MPO P05164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL5578711 0.90 BACE1 (0.35) MAOBMAOASCN9ACTSDBACE1
SCHEMBL6895217 0.90 SIGMAR1 (0.40) MAOBMAOASCN9AIDO1
SCHEMBL6895046 0.89 IDO1 (0.33) MAOBMAOASCN9ACTSDBACE1
SCHEMBL6889713 0.89 MEN1 (0.40) CTSDBACE1IDO1AGXT
SCHEMBL6895816 0.87 HTR2A (0.48) IDO1
SCHEMBL6894740 0.87 TAAR1 (0.46) BACE1IDO1AGXT
SCHEMBL6894401 0.86 MEN1 (0.39) MAOBMAOASCN9ABACE1
SCHEMBL6892044 0.84 LMNA (0.38) CTSDBACE1IDO1
SCHEMBL6888146 0.80 GBA1 (0.34) MAOBMAOA
SCHEMBL6893114 0.80 SIGMAR1 (0.42) ANPEP

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