Sugi Predict

Sugi Predict / Compounds / SCHEMBL4484438

SCHEMBL4484438

SCHEMBL4484438

COc1cc(CNCCNC(=O)c2cccc(C(=O)N(C)CCN3CCC(OC(=O)N(c4ccccc4-c4ccccc4)N(C(=O)O)c4ccccc4-c4ccccc4)CC3)c2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 9/20 0.43
▸ ADRB2 P07550 8/20 0.43
▸ CHRM2 P08172 1/20 0.41
▸ DRD2 P14416 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
SCHEMBL4494455 0.95 CHRM2 (0.43) CHRM3ADRB2CHRM2DRD2
SCHEMBL4493963 0.94 CHRM3 (0.45) CHRM3ADRB2CHRM2
SCHEMBL4494191 0.91 CHRM2 (0.43) CHRM3ADRB2CHRM2DRD2
SCHEMBL4483079 0.91 CHRM3 (0.44) CHRM3ADRB2CHRM2DRD2
SCHEMBL4493960 0.91 CHRM2 (0.42) CHRM3ADRB2CHRM2
SCHEMBL4491995 0.89 CHRM2 (0.41) CHRM3ADRB2CHRM2DRD2
SCHEMBL4475841 0.88 CHRM2 (0.43) CHRM3ADRB2CHRM2DRD2
SCHEMBL266110 0.88 CHRM2 (0.56) CHRM3ADRB2CHRM2
SCHEMBL4474416 0.87 CHRM3 (0.46) CHRM3ADRB2
SCHEMBL4490830 0.87 CHRM2 (0.44) CHRM3ADRB2CHRM2DRD2

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