SCHEMBL4490834

SCHEMBL4490834

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
SLC5A7 Q9GZV3 1/20 0.40
CHRM3 P20309 14/20 0.40
TMEM97 Q5BJF2 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
SCHEMBL4475845 0.93 HTR7 (0.41) CARM1PRMT6HTR7HTR1ASLC5A7
SCHEMBL4480099 0.91 SLC5A7 (0.43) CARM1PRMT6HTR7HTR1ASLC5A7
SCHEMBL4483086 0.90 CHRM3 (0.43) CARM1PRMT6HTR7HTR1ASLC5A7
SCHEMBL4492004 0.90 CHRM3 (0.42) CARM1PRMT6HTR7HTR1ASLC5A7
SCHEMBL4493969 0.89 CHRM3 (0.40) CARM1PRMT6HTR7HTR1ASLC5A7
SCHEMBL4474959 0.89 HTR7 (0.39) CARM1PRMT6HTR7HTR1ASLC5A7
SCHEMBL4494194 0.88 CCR3 (0.43) CARM1PRMT6HTR1ASLC5A7CHRM3
SCHEMBL265735 0.88 CHRM3 (0.56) CHRM3
SCHEMBL4490236 0.88 CHRM3 (0.43) CARM1PRMT6CHRM3
SCHEMBL4494146 0.87 EPHX2 (0.46) CARM1PRMT6HTR7HTR1ASLC5A7

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