SCHEMBL6183976

SCHEMBL6183976

CC(O)c1ccccc1Nc1ccc(CCN)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
BPTF Q12830 2/20 0.40
KAT2B Q92831 2/20 0.40
BRD9 Q9H8M2 2/20 0.40
BRD4 O60885 1/20 0.40
KAT2A Q92830 1/20 0.40
CECR2 Q9BXF3 1/20 0.40
BRD7 Q9NPI1 1/20 0.40
HTR6 P50406 1/20 0.39
TAAR1 Q96RJ0 4/20 0.39
HTR2A P28223 2/20 0.39
CYP2A6 P11509 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL5968363 1.00 SIRT2 (0.43) SIRT2BPTFKAT2BBRD9BRD4
SCHEMBL11018690 0.78 MAPT (0.46) SMN1; SMN2L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL5786752 0.76 PIK3CA (0.42) L3MBTL1ALDH1A1MAPTALOX15HSD17B10
SCHEMBL15994056 0.73 MAOB (0.41) SIRT2L3MBTL1KDM4ENPC1RAB9A
SCHEMBL16596121 0.73 MAOB (0.41) SIRT2L3MBTL1KDM4ENPC1RAB9A
SCHEMBL5968364 0.73 SIRT2 (0.46) SIRT2BPTFKAT2BBRD9BRD4
Hydrochloric Acid SCHEMBL15993984 0.72 MAOB (0.42) SIRT2L3MBTL1SLC6A2NPC1LMNA
SCHEMBL1459468 0.71 TAAR1 (0.54) BPTFKAT2BBRD9HTR6TAAR1
SCHEMBL9559959 0.69 MAPT (0.58) SMN1; SMN2L3MBTL1KDM4EALDH1A1CYP1A2
SCHEMBL1458404 0.69 TAAR1 (0.52) BPTFKAT2BBRD9HTR6TAAR1

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-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 WO disclosed