SCHEMBL6895217

SCHEMBL6895217

C[C@@H](O)[C@@H](N)C(NCc1ccccc1)c1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRB2 P07550 1/20 0.38
CASR P41180 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL6887215 0.90 MAOB (0.41) IDO1MAOBMAOASCN9A
SCHEMBL6892044 0.89 LMNA (0.38) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL6895046 0.89 IDO1 (0.33) IDO1MAOBMAOASCN9A
SCHEMBL5578711 0.87 BACE1 (0.35) ALDH1A1MEN1KMT2AKDM4EMAOB
SCHEMBL6893114 0.87 SIGMAR1 (0.42) SIGMAR1POLBALDH1A1ADRB2KDM4E
SCHEMBL6889713 0.86 MEN1 (0.40) SIGMAR1CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL6895745 0.86 LMNA (0.47) SIGMAR1POLBALDH1A1LMNAMAPK1
SCHEMBL6888146 0.85 GBA1 (0.34) ALDH1A1LMNAMAPK1HTTKMT2A
SCHEMBL6894740 0.84 TAAR1 (0.46) ALDH1A1LMNAADRB2CASRIDO1
SCHEMBL6895816 0.84 HTR2A (0.48) SIGMAR1LMNACASRCYP1A2CYP2D6

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