SCHEMBL7469736

SCHEMBL7469736

O=[N+]([O-])c1ccc(N2CCC(NCC(O)COc3ccc(O)cc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.53
ADRB1 P08588 10/20 0.53
ADRB2 P07550 9/20 0.52
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6953116 0.84 ADRB1 (0.56) ADRB3ADRB1ADRB2LMNA
SCHEMBL7473303 0.84 ADRB3 (0.58) ADRB3ADRB1ADRB2LMNA
SCHEMBL6944610 0.82 ADRB3 (0.53) ADRB3ADRB1ADRB2MAPTALDH1A1
SCHEMBL6951393 0.82 ADRB1 (0.57) ADRB3ADRB1ADRB2
SCHEMBL6945509 0.79 ADRB1 (0.58) ADRB3ADRB1ADRB2MAPTLMNA
SCHEMBL7473044 0.79 ADRB3 (0.52) ADRB3ADRB1ADRB2MAPTALDH1A1
SCHEMBL7469004 0.79 ADRB3 (0.52) ADRB3ADRB1ADRB2MAPTALDH1A1
SCHEMBL5204833 0.77 ADRB1 (0.54) ADRB3ADRB1ADRB2
SCHEMBL6953354 0.75 ADRB1 (0.55) ADRB3ADRB1ADRB2LMNA
SCHEMBL6303828 0.74 HRH3 (0.40) ADRB3ADRB1ADRB2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed