SCHEMBL4475337

SCHEMBL4475337

O=C(NCCNCc1ccccc1O)c1cccc(C(=O)NCCN2CCC(OC(=O)N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.45
ADRB2 P07550 5/20 0.45
TMEM97 Q5BJF2 1/20 0.42
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
APP P05067 1/20 0.41
ERN1 O75460 1/20 0.40
IKBKB O14920 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
EPHX2 P34913 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL4492004 0.94 CHRM3 (0.42) CHRM3ADRB2TMEM97CARM1PRMT6
SCHEMBL4475332 0.92 ADRB2 (0.43) CHRM3ADRB2TMEM97CARM1PRMT6
SCHEMBL4493225 0.91 CHRM3 (0.46) CHRM3ADRB2EPHX2
SCHEMBL265548 0.88 CHRM3 (0.56) CHRM3ADRB2
SCHEMBL4471210 0.86 CCR3 (0.48) CHRM3ADRB2CARM1PRMT6SLC5A7
SCHEMBL4491995 0.84 CHRM2 (0.41) CHRM3ADRB2CARM1PRMT6HTR7
SCHEMBL4493215 0.84 CHRM3 (0.42) CHRM3ADRB2EPHX2
SCHEMBL4483086 0.84 CHRM3 (0.43) CHRM3ADRB2TMEM97CARM1PRMT6
SCHEMBL4493969 0.83 CHRM3 (0.40) CHRM3ADRB2TMEM97CARM1PRMT6
SCHEMBL4490834 0.83 CARM1 (0.41) CHRM3TMEM97CARM1PRMT6HTR7

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