SCHEMBL4479680

SCHEMBL4479680

CNCCNC(=O)c1cccc(C(=O)N(C)CCN2CCC(OC(=O)N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CARM1 Q86X55 3/20 0.47
PRMT6 Q96LA8 3/20 0.47
CHRM3 P20309 11/20 0.42
SLC5A7 Q9GZV3 1/20 0.41
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
ADRB2 P07550 1/20 0.41
DRD2 P14416 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
SMYD2 Q9NRG4 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
SCHEMBL4479676 0.92 CARM1 (0.45) CHRM2CARM1PRMT6CHRM3SLC5A7
SCHEMBL267098 0.89 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL4472533 0.88 CHRM2 (0.43) CHRM2CARM1PRMT6CHRM3SLC5A7
SCHEMBL4489644 0.86 CHRM2 (0.48) CHRM2CARM1PRMT6CHRM3ADRB2
SCHEMBL4483379 0.85 CHRM2 (0.49) CHRM2CARM1PRMT6CHRM3ADRB2
SCHEMBL4490830 0.84 CHRM2 (0.44) CHRM2CARM1PRMT6CHRM3SLC5A7
SCHEMBL4475841 0.84 CHRM2 (0.43) CHRM2CARM1PRMT6CHRM3SLC5A7
SCHEMBL4470444 0.81 CARM1 (0.48) CARM1PRMT6CHRM3SLC5A7HTR7
SCHEMBL265736 0.81 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL4491995 0.81 CHRM2 (0.41) CHRM2CARM1PRMT6CHRM3SLC5A7

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