SCHEMBL3645149

SCHEMBL3645149

C[C@@H](O)[C@@H](N)C(NCc1cccc(C(C)(C)C)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.52
BACE1 P56817 4/20 0.52
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1H4 Q96RI1 1/20 0.38
CASR P41180 1/20 0.37
MEP1B Q16820 2/20 0.37
TACR1 P25103 1/20 0.37
KIF11 P52732 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL164926 0.89 HTR2A (0.50) BCHEBACE1HTR2AHTR2CHTR2B
SCHEMBL6895745 0.84 LMNA (0.47) BCHEMEN1KMT2ACASR
SCHEMBL6892337 0.82 LMNA (0.52) MEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL7112448 0.81 MEN1 (0.43) MEN1KMT2ACASRMEP1BTACR1
SCHEMBL6887059 0.81 TACR1 (0.50) TACR1
SCHEMBL4692485 0.81 CASR (0.57) BCHEMEN1KMT2ACASR
SCHEMBL165645 0.81 CASR (0.57) BCHEMEN1KMT2ACASR
SCHEMBL4307949 0.81 KMT2A (0.40) BACE1MEN1KMT2ACASRMEP1B
SCHEMBL165514 0.79 MEN1 (0.47) MEN1KMT2ACASR
SCHEMBL6894577 0.79 SMN1; SMN2 (0.40) MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed