SCHEMBL632332

SCHEMBL632332

COc1cccc(CN(Cc2c[nH]cn2)c2cccc(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.53
CETP P11597 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
BCL2A1 Q16548 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
CDK1 P06493 1/20 0.37
TSPO P30536 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL632509 0.89 TAAR1 (0.41) QPCTCETPTAAR1SLC6A4
SCHEMBL631672 0.85 TAAR1 (0.41) QPCTCETPTAAR1SMN1; SMN2KMT2A
SCHEMBL632954 0.83 TAAR1 (0.41) QPCTCETPTAAR1SLC6A4
SCHEMBL631727 0.80 TAAR1 (0.57) TAAR1
SCHEMBL632302 0.80 HDAC6 (0.47) TAAR1EGFR
SCHEMBL14189358 0.78 TAAR1 (0.66) QPCTTAAR1
SCHEMBL631532 0.76 TAAR1 (0.39) TAAR1SLC6A4
SCHEMBL2103486 0.74 FGFR1 (0.50) TAAR1
SCHEMBL224560 0.73 TAAR1 (0.51) TAAR1
SCHEMBL632904 0.72 TAAR1 (0.37) CETPTAAR1SLC6A4KMT2A

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
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed