SCHEMBL5049558

SCHEMBL5049558

CCNC(=O)C(c1ccccc1)C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.64
S1PR3 Q99500 3/20 0.64
MEN1 O00255 2/20 0.64
LMNA P02545 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 1/20 0.64
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTT P42858 1/20 0.54
CHRM3 P20309 1/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52

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
SCHEMBL5049482 0.98 CYP1A2 (0.63) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL5080882 0.87 SMYD3 (0.50) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL9829773 0.85 HTR1E (0.64) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL5077966 0.85 KDM4E (0.53) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL13923636 0.83 HTR1E (0.74) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL4866353 0.83 CYP3A4 (0.63) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL4877735 0.82 CYP3A4 (0.64) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL13305279 0.81 HTR1E (0.67) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL5049447 0.81 HTR1E (0.71) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL22899817 0.81 TSHR (0.63) HTR1ES1PR3MEN1LMNAKMT2A

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-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed