SCHEMBL4483379

SCHEMBL4483379

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM3 P20309 16/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
ADRB2 P07550 2/20 0.42
SLC2A1 P11166 2/20 0.40

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
SCHEMBL4483376 0.93 CHRM2 (0.46) CHRM2CHRM3CARM1PRMT6ADRB2
SCHEMBL4489644 0.92 CHRM2 (0.48) CHRM2CHRM3CARM1PRMT6ADRB2
SCHEMBL4495586 0.90 CHRM2 (0.49) CHRM2CHRM3ADRB2
SCHEMBL4476501 0.90 CHRM2 (0.49) CHRM2CHRM3ADRB2
SCHEMBL267952 0.90 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL4470444 0.88 CARM1 (0.48) CHRM3CARM1PRMT6
SCHEMBL4466758 0.86 CHRM2 (0.45) CHRM2CHRM3CARM1PRMT6ADRB2
SCHEMBL4485665 0.86 CHRM2 (0.45) CHRM2CHRM3CARM1PRMT6ADRB2
SCHEMBL4471155 0.85 CHRM2 (0.45) CHRM2CHRM3CARM1PRMT6ADRB2
SCHEMBL4490234 0.85 CHRM2 (0.45) CHRM2CHRM3CARM1PRMT6ADRB2

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