Sugi Predict

Sugi Predict / Compounds / SCHEMBL4493974

SCHEMBL4493974

SCHEMBL4493974

CCN(NCc1ccc(O)c(O)c1)C(=O)c1cccc(C(=O)CNCCN2CCC(OC(=O)N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 18/20 0.38
▸ ADRB2 P07550 8/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ CHRM2 P08172 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
SCHEMBL4484440 0.94 CHRM3 (0.40) CHRM3ADRB2CARM1PRMT6
SCHEMBL4494456 0.94 CHRM3 (0.38) CHRM3ADRB2CARM1PRMT6CHRM2
SCHEMBL3301257 0.90 CHRM3 (0.52) CHRM3ADRB2CHRM2
SCHEMBL3196137 0.84 CHRM3 (0.49) CHRM3ADRB2CHRM2
SCHEMBL3299868 0.84 CHRM3 (0.49) CHRM3ADRB2CHRM2
SCHEMBL268484 0.83 CHRM3 (0.53) CHRM3CHRM2
SCHEMBL714031 0.83 CHRM3 (0.53) CHRM3CHRM2
SCHEMBL5803533 0.81 ERCC1 (0.30) —
SCHEMBL4474425 0.80 CHRM3 (0.46) CHRM3ADRB2CHRM2
SCHEMBL4483086 0.80 CHRM3 (0.43) CHRM3ADRB2CARM1PRMT6

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