SCHEMBL4474959

SCHEMBL4474959

O=C(CNCCN1CCC(OC(=O)N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)NCCNCc2ccco2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
CHRM3 P20309 8/20 0.36
ADRB2 P07550 2/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
EPHX2 P34913 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL266794 0.89 CHRM3 (0.50) CHRM3
SCHEMBL4490834 0.89 CARM1 (0.41) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4475845 0.88 HTR7 (0.41) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4492004 0.88 CHRM3 (0.42) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4483086 0.88 CHRM3 (0.43) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4478639 0.87 CHRM3 (0.41) HTR7HTR1AALDH1A1TSHRMAPK1
SCHEMBL4493969 0.87 CHRM3 (0.40) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4494194 0.86 CCR3 (0.43) HTR1ACARM1PRMT6CHRM3ADRB2
SCHEMBL4490147 0.85 HTR7 (0.38) HTR7HTR1ACARM1PRMT6CHRM3
SCHEMBL4480099 0.84 SLC5A7 (0.43) HTR7HTR1ACARM1PRMT6CHRM3

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