SCHEMBL4493985

SCHEMBL4493985

O=C(CN1CCC(O)CC1)Nc1cccc(C(=O)CNCCN2CCC(OC(=O)N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.41
DRD4 P21917 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4490236 0.91 CHRM3 (0.43) CHRM3CARM1PRMT6
SCHEMBL266401 0.90 CHRM3 (0.54) CHRM3
SCHEMBL4466761 0.89 CHRM3 (0.45) CHRM3CARM1PRMT6
SCHEMBL4480540 0.89 EPHX2 (0.45) CHRM3DRD4CARM1PRMT6MEN1
SCHEMBL4471158 0.89 CHRM3 (0.42) CHRM3CARM1PRMT6
SCHEMBL4485671 0.89 CHRM3 (0.41) CHRM3CARM1PRMT6
SCHEMBL4475972 0.87 CHRM3 (0.40) CHRM3CARM1PRMT6
SCHEMBL4478187 0.86 CHRM3 (0.40) CHRM3CARM1PRMT6
SCHEMBL4476551 0.86 CHRM3 (0.43) CHRM3CARM1PRMT6
SCHEMBL4478362 0.84 CHRM3 (0.42) CHRM3CARM1PRMT6

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