SCHEMBL4480099

SCHEMBL4480099

O=C(CNCCN1CCC(OC(=O)N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)NCCNCCc2ccc(O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 1/20 0.43
CHRM3 P20309 11/20 0.39
ADRB2 P07550 9/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TMEM97 Q5BJF2 2/20 0.39
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
SMYD2 Q9NRG4 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) SLC5A7CHRM3ADRB2TMEM97HTR7
SCHEMBL4490834 0.91 CARM1 (0.41) SLC5A7CHRM3TMEM97HTR7HTR1A
SCHEMBL268759 0.89 CHRM3 (0.51) CHRM3ADRB2
SCHEMBL4493969 0.89 CHRM3 (0.40) SLC5A7CHRM3ADRB2TMEM97HTR7
SCHEMBL4476551 0.89 CHRM3 (0.43) CHRM3ADRB2CARM1PRMT6
SCHEMBL4475845 0.89 HTR7 (0.41) SLC5A7CHRM3ADRB2TMEM97HTR7
SCHEMBL4480594 0.88 SLC5A7 (0.43) SLC5A7CHRM3ADRB2MEN1KMT2A
SCHEMBL4483802 0.88 CHRM3 (0.45) CHRM3ADRB2CARM1PRMT6
SCHEMBL4492004 0.87 CHRM3 (0.42) SLC5A7CHRM3ADRB2TMEM97HTR7
SCHEMBL4494194 0.86 CCR3 (0.43) SLC5A7CHRM3ADRB2HTR1ACARM1

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