SCHEMBL6895745

SCHEMBL6895745

C[C@@H](O)[C@@H](N)C(NCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACP3 P15309 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CASR P41180 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
BCHE P06276 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6895808 0.91 SMN1; SMN2 (0.57) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6887798 0.90 GAA (0.45) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6894820 0.90 CYP1A2 (0.60) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6886251 0.87 TDP1 (0.52) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL17314012 0.86 SIGMAR1 (0.52) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6895924 0.86 ALDH1A1 (0.48) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6892337 0.86 LMNA (0.52) LMNACYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6892044 0.86 LMNA (0.38) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6895217 0.86 SIGMAR1 (0.40) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL3649450 0.86 TACR1 (0.46) LMNAALDH1A1MAPK1HTTNPSR1

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