SCHEMBL6895656

SCHEMBL6895656

C[C@@H](O)[C@@H](N)C(NCc1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC8 Q9BY41 2/20 0.49
OPRK1 P41145 1/20 0.44
POLB P06746 1/20 0.44
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
PPARG P37231 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL6890978 0.87 LMNA (0.50) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL6894820 0.82 CYP1A2 (0.60) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL6892337 0.81 LMNA (0.52) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL3649450 0.81 TACR1 (0.46) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL6890574 0.79 PLA2G1B (0.52) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL23754498 0.78 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL23754506 0.78 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL29864910 0.78 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL6894927 0.78 ANPEP (0.40) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL6895745 0.77 LMNA (0.47) MEN1KMT2ACYP1A2CYP2D6CYP2C19

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