SCHEMBL19308205

SCHEMBL19308205

N=C(N)NCCC1CCC(S(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPY1R P25929 3/20 0.40
F2 P00734 4/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL19308201 0.81 CA1 (0.45) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL19308200 0.81 F2 (0.43) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL19308203 0.80 MTNR1A (0.45) NPY5RNPY1RCA1CA2CA9
SCHEMBL12929540 0.80 NPY5R (0.46) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL20789878 0.78 CA1 (0.55) F2PRSS1PRSS2PRSS3CA1
SCHEMBL19308225 0.74 HTR6 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13796481 0.74 NPY5R (0.62) NPY5RNPY1RF2PRSS1PRSS2
SCHEMBL6097914 0.72 CA1 (0.52) NPY5RF2PRSS1PRSS2PRSS3
Sulfuric Acid SCHEMBL11559384 0.72 ALOX15 (0.47) TDP1KDM4ECYP1A2CYP2C19
SCHEMBL19308206 0.71 F2 (0.38) F2ALDH1A1MAPTKDM4ECYP2C9

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-9752149-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2017-09-05 US disclosed