SCHEMBL4493969

SCHEMBL4493969

O=C(CNCCN1CCC(OC(=O)N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)NCCNCc2cccc(O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.40
ADRB2 P07550 5/20 0.40
TMEM97 Q5BJF2 4/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
CHRM4 P08173 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL4483086 0.94 CHRM3 (0.43) CHRM3ADRB2TMEM97SLC5A7HTR7
SCHEMBL4475845 0.90 HTR7 (0.41) CHRM3ADRB2TMEM97SLC5A7HTR7
SCHEMBL4492004 0.90 CHRM3 (0.42) CHRM3ADRB2TMEM97SLC5A7HTR7
SCHEMBL4490834 0.89 CARM1 (0.41) CHRM3TMEM97SLC5A7HTR7HTR1A
SCHEMBL4494194 0.89 CCR3 (0.43) CHRM3ADRB2SLC5A7HTR1ACARM1
SCHEMBL266665 0.89 CHRM3 (0.51) CHRM3ADRB2
SCHEMBL4480099 0.89 SLC5A7 (0.43) CHRM3ADRB2TMEM97SLC5A7HTR7
SCHEMBL4474959 0.87 HTR7 (0.39) CHRM3ADRB2TMEM97SLC5A7HTR7
SCHEMBL4490147 0.85 HTR7 (0.38) CHRM3ADRB2TMEM97SLC5A7HTR7
SCHEMBL4475337 0.83 CHRM3 (0.45) CHRM3ADRB2TMEM97SLC5A7HTR7

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