SCHEMBL4490147

SCHEMBL4490147

O=C(CNCCN1CCC(OC(=O)N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)NCCNCc2ncc[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
CHRM3 P20309 8/20 0.36
ADRB2 P07550 3/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.35
ATR Q13535 2/20 0.35
SMYD2 Q9NRG4 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL4476769 0.92 HTR7 (0.37) HTR7HTR1ACHRM3ADRB2CARM1
SCHEMBL264796 0.90 CHRM3 (0.48) CHRM3
SCHEMBL4478705 0.88 CHRM3 (0.41) HTR7HTR1ACHRM3ADRB2ATR
SCHEMBL4490834 0.87 CARM1 (0.41) HTR7HTR1ACHRM3CARM1PRMT6
SCHEMBL4475845 0.86 HTR7 (0.41) HTR7HTR1ACHRM3ADRB2CARM1
SCHEMBL4483086 0.86 CHRM3 (0.43) HTR7HTR1ACHRM3ADRB2CARM1
SCHEMBL4492004 0.86 CHRM3 (0.42) HTR7HTR1ACHRM3ADRB2CARM1
SCHEMBL4493969 0.85 CHRM3 (0.40) HTR7HTR1ACHRM3ADRB2CARM1
SCHEMBL4474959 0.85 HTR7 (0.39) HTR7HTR1ACHRM3ADRB2CARM1
SCHEMBL4494194 0.84 CCR3 (0.43) HTR1ACHRM3ADRB2CARM1PRMT6

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
US-7632847-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-(3-[3-(4-hydroxybenzylamino)propionylamino]benzoylamino)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2009-12-15 US disclosed