SCHEMBL4475972

SCHEMBL4475972

O=C(CCNC1CC1)Nc1cccc(C(=O)CNCCN2CCC(OC(=O)N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.40
ADRB2 P07550 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 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
SCHEMBL4485671 0.94 CHRM3 (0.41) CHRM3CARM1PRMT6HTR1AHTR7
SCHEMBL4490236 0.90 CHRM3 (0.43) CHRM3CARM1PRMT6
SCHEMBL267134 0.90 CHRM3 (0.53) CHRM3
SCHEMBL4466761 0.89 CHRM3 (0.45) CHRM3CARM1PRMT6
SCHEMBL4471158 0.89 CHRM3 (0.42) CHRM3CARM1PRMT6
SCHEMBL4478362 0.88 CHRM3 (0.42) CHRM3ADRB2CARM1PRMT6
SCHEMBL4493985 0.87 CHRM3 (0.41) CHRM3CARM1PRMT6
SCHEMBL4483802 0.87 CHRM3 (0.45) CHRM3ADRB2CARM1PRMT6
SCHEMBL4478187 0.85 CHRM3 (0.40) CHRM3ADRB2CARM1PRMT6
SCHEMBL4476551 0.85 CHRM3 (0.43) CHRM3ADRB2CARM1PRMT6

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