SCHEMBL4483254

SCHEMBL4483254

O=C(CNCCN1CCC(OC(=O)N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)CC1)c1ccc(C(=O)NCCNCc2ccc(O)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.41
ADRB2 P07550 2/20 0.41
ACKR3 P25106 1/20 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
SCHEMBL265767 0.89 CHRM3 (0.51) CHRM3ADRB2
SCHEMBL4483086 0.87 CHRM3 (0.43) CHRM3ADRB2
SCHEMBL4480099 0.81 SLC5A7 (0.43) CHRM3ADRB2
SCHEMBL4493969 0.81 CHRM3 (0.40) CHRM3ADRB2
SCHEMBL4483245 0.80 CHRM3 (0.42) CHRM3ADRB2ACKR3
SCHEMBL4476746 0.80 CHRM2 (0.42) CHRM3ADRB2ACKR3
SCHEMBL4494194 0.80 CCR3 (0.43) CHRM3ADRB2
SCHEMBL4478187 0.79 CHRM3 (0.40) CHRM3ADRB2
SCHEMBL4478362 0.79 CHRM3 (0.42) CHRM3ADRB2
SCHEMBL4483296 0.78 CHRM3 (0.45) CHRM3ADRB2

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