Sugi Predict

Sugi Predict / Compounds / SCHEMBL4483245

SCHEMBL4483245

SCHEMBL4483245

CN(CCN1CCC(OC(=O)N(c2ccccc2-c2ccccc2)N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(C(=O)NCCNCc2ccc(O)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 15/20 0.42
▸ ADRB2 P07550 10/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ ACKR3 P25106 4/20 0.36

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
SCHEMBL4476743 0.93 CHRM2 (0.39) CHRM3ADRB2CHRM2ACKR3
SCHEMBL4483079 0.90 CHRM3 (0.44) CHRM3ADRB2CHRM2
SCHEMBL265666 0.87 CHRM2 (0.56) CHRM3ADRB2CHRM2
SCHEMBL4476746 0.85 CHRM2 (0.42) CHRM3ADRB2CHRM2ACKR3
SCHEMBL4480089 0.84 CHRM2 (0.43) CHRM3ADRB2CHRM2
SCHEMBL4493960 0.84 CHRM2 (0.42) CHRM3ADRB2CHRM2
SCHEMBL4494191 0.83 CHRM2 (0.43) CHRM3ADRB2CHRM2
SCHEMBL4493963 0.83 CHRM3 (0.45) CHRM3ADRB2CHRM2
SCHEMBL4478352 0.81 CHRM3 (0.44) CHRM3ADRB2CHRM2
SCHEMBL4494455 0.81 CHRM2 (0.43) CHRM3ADRB2CHRM2

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