SCHEMBL6890978

SCHEMBL6890978

C[C@@H](O)[C@@H](N)C(NCc1ccccc1Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CASR P41180 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NPC1 O15118 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL6895656 0.87 MEN1 (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6894927 0.84 ANPEP (0.40) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6895745 0.81 LMNA (0.47) LMNAMEN1KMT2ACASRCYP1A2
SCHEMBL6894820 0.81 CYP1A2 (0.60) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6890574 0.80 PLA2G1B (0.52) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3649450 0.80 TACR1 (0.46) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6896828 0.78 LMNA (0.48) LMNAKMT2ACASRALDH1A1
SCHEMBL6892337 0.77 LMNA (0.52) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6892177 0.77 ATM (0.42) CASRCYP2D6SLC6A2SLC6A4
SCHEMBL7637536 0.77 MEN1 (0.72) LMNAMEN1KMT2ACASRCYP1A2

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