SCHEMBL4475845

SCHEMBL4475845

O=C(CNCCN1CCC(OC(=O)N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)NCCNCC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HTR1A P08908 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SLC5A7 Q9GZV3 1/20 0.39
CHRM3 P20309 9/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL4490834 0.93 CARM1 (0.41) HTR7CARM1PRMT6HTR1ATMEM97
SCHEMBL4493969 0.90 CHRM3 (0.40) HTR7CARM1PRMT6HTR1ATMEM97
SCHEMBL4492004 0.89 CHRM3 (0.42) HTR7CARM1PRMT6HTR1ATMEM97
SCHEMBL4483086 0.89 CHRM3 (0.43) HTR7CARM1PRMT6HTR1ATMEM97
SCHEMBL4480099 0.89 SLC5A7 (0.43) HTR7CARM1PRMT6HTR1ATMEM97
SCHEMBL4474959 0.88 HTR7 (0.39) HTR7CARM1PRMT6HTR1ATMEM97
SCHEMBL264492 0.88 CHRM3 (0.55) CHRM3
SCHEMBL4494194 0.87 CCR3 (0.43) CARM1PRMT6HTR1ASLC5A7CHRM3
SCHEMBL4471158 0.87 CHRM3 (0.42) CARM1PRMT6CHRM3
SCHEMBL4490147 0.86 HTR7 (0.38) HTR7CARM1PRMT6HTR1ATMEM97

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