SCHEMBL4480181

SCHEMBL4480181

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.47
PRMT6 Q96LA8 4/20 0.47
EPHX2 P34913 4/20 0.43
CHRM3 P20309 5/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CCR3 P51677 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4470442 0.94 CARM1 (0.46) CARM1PRMT6EPHX2CHRM3SLC5A7
SCHEMBL4472540 0.93 EPHX2 (0.43) CARM1PRMT6EPHX2CHRM3SLC5A7
SCHEMBL4470548 0.92 ATR (0.44) EPHX2CHRM3HTR7HTR1A
SCHEMBL4482918 0.90 EPHX2 (0.43) CARM1PRMT6EPHX2CHRM3SLC5A7
SCHEMBL4487942 0.89 NPSR1 (0.49) EPHX2CHRM3
SCHEMBL4486948 0.89 EPHX2 (0.44) CARM1PRMT6EPHX2HTR7HTR1A
SCHEMBL4494143 0.89 EPHX2 (0.44) CARM1PRMT6EPHX2CHRM3SLC5A7
SCHEMBL4480375 0.89 EPHX2 (0.44) CARM1PRMT6EPHX2CHRM3SLC5A7
SCHEMBL4489639 0.89 CHRM2 (0.45) CARM1PRMT6CHRM3
SCHEMBL4480537 0.88 EPHX2 (0.43) CARM1PRMT6EPHX2CHRM3SLC5A7

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