SCHEMBL4476769

SCHEMBL4476769

O=C(CNCCN1CCC(OC(=O)N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)NCCN(Cc2ncc[nH]2)Cc2ncc[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CHRM3 P20309 7/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ADRB2 P07550 2/20 0.35
SLC5A7 Q9GZV3 1/20 0.35
ATR Q13535 2/20 0.34
FYN P06241 1/20 0.34
SMYD2 Q9NRG4 1/20 0.34
TMEM97 Q5BJF2 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
SCHEMBL4490147 0.92 HTR7 (0.38) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL266027 0.90 CHRM3 (0.48) CHRM3
SCHEMBL4490834 0.83 CARM1 (0.41) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4476763 0.83 CHRM2 (0.39) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4475845 0.83 HTR7 (0.41) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL264796 0.81 CHRM3 (0.48) CHRM3
SCHEMBL266026 0.80 CHRM2 (0.54) CHRM3ADRB2
SCHEMBL4483086 0.80 CHRM3 (0.43) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4492004 0.80 CHRM3 (0.42) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4478705 0.80 CHRM3 (0.41) HTR7HTR1ACHRM3ADRB2ATR

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