SCHEMBL4489639

SCHEMBL4489639

CNCCC(=O)Nc1cccc(C(=O)N(C)CCN2CCC(OC(=O)N(c3ccccc3-c3ccccc3)N(C(=O)O)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CARM1 Q86X55 3/20 0.43
PRMT6 Q96LA8 3/20 0.43
CHRM3 P20309 16/20 0.39
ADRB2 P07550 5/20 0.39
PRMT8 Q9NR22 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
SCHEMBL4475969 0.94 CHRM2 (0.44) CHRM2CARM1PRMT6CHRM3ADRB2
SCHEMBL4483376 0.93 CHRM2 (0.46) CHRM2CARM1PRMT6CHRM3ADRB2
SCHEMBL4489644 0.93 CHRM2 (0.48) CHRM2CARM1PRMT6CHRM3ADRB2
SCHEMBL4476500 0.92 CHRM2 (0.45) CHRM2CHRM3ADRB2
SCHEMBL4490234 0.90 CHRM2 (0.45) CHRM2CARM1PRMT6CHRM3ADRB2
SCHEMBL4478352 0.90 CHRM3 (0.44) CHRM2CHRM3ADRB2
SCHEMBL4466758 0.89 CHRM2 (0.45) CHRM2CARM1PRMT6CHRM3ADRB2
SCHEMBL4495584 0.89 CHRM2 (0.45) CHRM2CHRM3ADRB2
SCHEMBL4485665 0.89 CHRM2 (0.45) CHRM2CARM1PRMT6CHRM3ADRB2
SCHEMBL4483796 0.89 CHRM2 (0.44) CHRM2CHRM3ADRB2

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