SCHEMBL11919014

SCHEMBL11919014

CCCCOc1ccc([C@@H](O)CNCCCCc2ccc(CCCCNC(=O)OCc3ccccc3)cc2)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.49
ADRB3 P13945 7/20 0.49
ADRB2 P07550 10/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
DRD1 P21728 2/20 0.47
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2B P18089 1/20 0.42
SLC6A2 P23975 1/20 0.42
FPR3 P25089 1/20 0.42

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
SCHEMBL966754 0.94 ADRB2 (0.46) ADRB1ADRB3ADRB2DRD2DRD4
SCHEMBL966753 0.94 ADRB2 (0.46) ADRB1ADRB3ADRB2DRD2DRD4
SCHEMBL2054479 0.83 ADRB2 (0.49) ADRB1ADRB3ADRB2DRD2DRD4
SCHEMBL2054498 0.82 MTNR1A (0.42) MAPTL3MBTL1KDM4ECYP3A4ALDH1A1
SCHEMBL965046 0.80 ADRB2 (0.56) ADRB1ADRB3ADRB2DRD2DRD4
SCHEMBL965047 0.80 ADRB2 (0.56) ADRB1ADRB3ADRB2DRD2DRD4
SCHEMBL965049 0.80 ADRB2 (0.56) ADRB1ADRB3ADRB2DRD2DRD4
SCHEMBL964403 0.80 ADRB2 (0.57) ADRB1ADRB3ADRB2DRD2DRD4
SCHEMBL964402 0.80 ADRB2 (0.57) ADRB1ADRB3ADRB2DRD2DRD4
SCHEMBL964401 0.80 ADRB2 (0.57) ADRB1ADRB3ADRB2DRD2DRD4

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-2035004-B1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES INC (US) 2012-08-08 EP disclosed