SCHEMBL574561

SCHEMBL574561

CC(C)(C)[Si](C)(C)OCCNCOCCc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
DUT P33316 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
HPGD P15428 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19438939 0.84 SLC6A3 (0.43) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1245973 0.83 ELOVL1 (0.41) TAAR1DUTELOVL1
SCHEMBL4148913 0.82 CHRM2 (0.47) L3MBTL1KMT2AALDH1A1KDM4ELMNA
SCHEMBL5696917 0.76 ALDH1A1 (0.35) TAAR1HPGDKMT2AALDH1A1RAB9A
SCHEMBL503098 0.74 TAAR1 (0.33) TAAR1ELOVL1HCAR2
SCHEMBL574575 0.74 ADRB2 (0.35) ELOVL1KMT2A
SCHEMBL503485 0.74 TAAR1 (0.33) TAAR1ELOVL1HCAR2
SCHEMBL574831 0.74 ADRB2 (0.35) ELOVL1KMT2A
SCHEMBL574882 0.72 TAAR1 (0.41) TAAR1SLC6A2SLC6A4SLC6A3ELOVL1
SCHEMBL2142867 0.71 DUT (0.38) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed