SCHEMBL4480375

SCHEMBL4480375

O=C(CNC1CC1)Nc1cccc(C(=O)NCCN2CCC(OC(=O)N(c3ccccc3-c3ccccc3)N(C(=O)O)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
HTR7 P34969 3/20 0.41
HTR1A P08908 2/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.38
CHRM3 P20309 2/20 0.38
ATR Q13535 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL4472540 0.93 EPHX2 (0.43) EPHX2HTR7HTR1ACARM1PRMT6
SCHEMBL4470442 0.93 CARM1 (0.46) EPHX2HTR7HTR1ACARM1PRMT6
SCHEMBL4494143 0.93 EPHX2 (0.44) EPHX2HTR7HTR1ACARM1PRMT6
SCHEMBL4478404 0.92 EPHX2 (0.43) EPHX2HTR7HTR1ACARM1PRMT6
SCHEMBL4482918 0.92 EPHX2 (0.43) EPHX2HTR7HTR1ACARM1PRMT6
SCHEMBL4486948 0.90 EPHX2 (0.44) EPHX2HTR7HTR1ACARM1PRMT6
SCHEMBL4470548 0.90 ATR (0.44) EPHX2HTR7HTR1ACHRM3ATR
SCHEMBL4480181 0.89 CARM1 (0.47) EPHX2HTR7HTR1ACARM1PRMT6
SCHEMBL4480537 0.89 EPHX2 (0.43) EPHX2HTR7HTR1ACARM1PRMT6
SCHEMBL4480582 0.88 SLC5A7 (0.42) EPHX2HTR7HTR1ATMEM97SLC5A7

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