SCHEMBL8515668

SCHEMBL8515668

N=C(N)NCCC[C@H](NC(=O)CN)C(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.45
HDAC3 O15379 7/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC4 P56524 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
MCHR1 Q99705 1/20 0.43
PIN1 Q13526 1/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TGM2 P21980 1/20 0.39
PADI6 Q6TGC4 1/20 0.39
PADI4 Q9UM07 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
SCHEMBL7549487 0.89 NPY4R (0.46) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8512961 0.88 MCHR1 (0.42) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8882210 0.87 ITGB3 (0.44) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL537084 0.85 NPY4R (0.45) MCHR1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7850288 0.84 NPY4R (0.44) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8416482 0.84 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8342382 0.83 MEN1 (0.43) HDAC1MC4RMC3RMC1RKDM4E
SCHEMBL8514657 0.83 NPY1R (0.36) TGM2NPY1RNPY2RNPY4RNPY5R
Bromide SCHEMBL11101365 0.83 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC4HDAC7
Hydrochloric Acid SCHEMBL28458664 0.82 NPY1R (0.36) TGM2NPY1RNPY2RNPY4RNPY5R

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3269822-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M Innovative Properties Company (US) 2018-01-17 EP disclosed
EP-2643471-B1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES CO (US) 2017-08-30 EP disclosed
US-9435739-B2 Methods and compositions to detect a biological activity 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-06 US disclosed
EP-2643471-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M Innovative Properties Company (US) 2013-10-02 EP disclosed
US-20130230876-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-09-05 US disclosed
WO-2012071131-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-31 WO disclosed