SCHEMBL2201846

SCHEMBL2201846

NCC(O)c1ccc(N)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
NFKB1 P19838 3/20 0.52
TSHR P16473 2/20 0.52
HIF1A Q16665 2/20 0.52
HTR3A P46098 1/20 0.52
KDM4E B2RXH2 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
APEX1 P27695 3/20 0.50
ALOX15 P16050 1/20 0.50
BLM P54132 5/20 0.47
MAPT P10636 3/20 0.47
RECQL P46063 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47

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
SCHEMBL9877092 0.84 LMNA (0.45) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL8697456 0.84 GABRP (0.38) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL23655471 0.80 NOS3 (0.44) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL23377250 0.78 SLC2A1 (0.39) NFKB1TSHRHIF1ABLMRECQL
SCHEMBL6075377 0.78 TAAR1 (0.50) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL6469008 0.77 NOS3 (0.46) KDM4EADRB2ADRB1ADRB3GABRP
SCHEMBL27617186 0.77 KDM4E (0.44) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL4074768 0.77 TAAR1 (0.80) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL9769230 0.76 ADRB2 (0.51) NFKB1TSHRHIF1AKDM4ETDP1
SCHEMBL9769240 0.76 ADRB2 (0.51) NFKB1TSHRHIF1AKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342174-B1 METHOD FOR PRODUCING 3-AMINOBIPHENYLENE UNIV MUENCHEN TECH (DE) 2013-03-27 EP disclosed
EP-2342174-A1 METHOD FOR PRODUCING 3-AMINOBIPHENYLENE Technische Universität München (DE) 2011-07-13 EP disclosed
WO-2010037531-A1 METHOD FOR PRODUCING 3-AMINOBIPHENYLENE Technische Universität München (DE) 2010-04-08 WO disclosed
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
US-5767133-A Secondary amines as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-06-16 US disclosed