SCHEMBL4482920

SCHEMBL4482920

CCNCC(=O)Nc1cccc(C(=O)NCCN2CCC(OC(=O)N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.45
EPHX2 P34913 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
ADRB2 P07550 1/20 0.41
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL4470444 0.94 CARM1 (0.48) CHRM3EPHX2SLC5A7CARM1PRMT6
SCHEMBL4494146 0.93 EPHX2 (0.46) CHRM3EPHX2SLC5A7CARM1PRMT6
SCHEMBL4482918 0.93 EPHX2 (0.43) CHRM3EPHX2SLC5A7CARM1PRMT6
SCHEMBL4478408 0.92 EPHX2 (0.45) CHRM3EPHX2SLC5A7CARM1PRMT6
SCHEMBL4482357 0.92 EPHX2 (0.45) CHRM3EPHX2CARM1PRMT6ADRB2
SCHEMBL4466761 0.91 CHRM3 (0.45) CHRM3CARM1PRMT6
SCHEMBL266786 0.89 CHRM3 (0.60) CHRM3
SCHEMBL4486950 0.88 EPHX2 (0.46) CHRM3EPHX2CARM1PRMT6HTR7
SCHEMBL4480594 0.88 SLC5A7 (0.43) CHRM3EPHX2SLC5A7ADRB2
SCHEMBL4480540 0.88 EPHX2 (0.45) CHRM3EPHX2SLC5A7CARM1PRMT6

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