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Sugi Predict / Compounds / SCHEMBL4475453

SCHEMBL4475453

SCHEMBL4475453

O=C(CCNCc1ccc(O)cc1)Nc1cccc(C(=O)NCCN2CCC(OC(=O)N(c3ccccc3-c3ccccc3)N(C(=O)O)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 16/20 0.43
▸ ADRB2 P07550 15/20 0.43
▸ EPHX2 P34913 2/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SLC5A7 Q9GZV3 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
SCHEMBL4483286 0.95 CHRM3 (0.42) CHRM3ADRB2EPHX2
SCHEMBL4489051 0.94 ADRB2 (0.42) CHRM3ADRB2EPHX2TMEM97SLC5A7
SCHEMBL4475461 0.93 CHRM3 (0.46) CHRM3ADRB2EPHX2TMEM97
SCHEMBL4482049 0.91 CHRM3 (0.45) CHRM3ADRB2
SCHEMBL4480582 0.90 SLC5A7 (0.42) CHRM3ADRB2EPHX2TMEM97SLC5A7
SCHEMBL4478352 0.89 CHRM3 (0.44) CHRM3ADRB2
SCHEMBL4472540 0.88 EPHX2 (0.43) CHRM3ADRB2EPHX2TMEM97SLC5A7
SCHEMBL4480181 0.88 CARM1 (0.47) CHRM3EPHX2TMEM97SLC5A7
SCHEMBL4483296 0.88 CHRM3 (0.45) CHRM3ADRB2
SCHEMBL4470548 0.88 ATR (0.44) CHRM3ADRB2EPHX2

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