SCHEMBL20195110

SCHEMBL20195110

O=NCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
FDFT1 P37268 3/20 0.49
HDAC2 Q92769 2/20 0.49
AOC3 Q16853 1/20 0.47
HDAC1 Q13547 1/20 0.47
HTR3A P46098 1/20 0.46
MMP12 P39900 2/20 0.44
MIF P14174 1/20 0.44
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL3465495 0.87 HTR3A (0.57) HDAC2HDAC1HTR3AMIF
SCHEMBL1523403 0.81 MIF (0.57) HDAC2HDAC1HTR3AMIF
SCHEMBL30869989 0.80 HDAC2 (0.60) FFAR1FDFT1HDAC2HDAC1ABCC4
SCHEMBL10456657 0.79 MIF (0.55) HDAC2HDAC1HTR3AMIF
Hydrochloric Acid SCHEMBL28503124 0.79 MIF (0.55) HDAC2HDAC1HTR3AMIF
SCHEMBL29152182 0.79 NAAA (0.58) HDAC2HDAC1HTR3AMIF
SCHEMBL5035695 0.79 MIF (0.55) HDAC2HDAC1HTR3AMIF
SCHEMBL21694457 0.79 MIF (0.55) HDAC2HDAC1HTR3AMIF
SCHEMBL9826765 0.78 HTR2A (0.62) FFAR1FDFT1HDAC2HDAC1MMP12
SCHEMBL5540653 0.77 FFAR1 (0.55) FFAR1FDFT1HDAC2HDAC1MMP12

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
EP-2890672-B1 PROCESSES FOR PREPARING INTERMEDIATES FOR THE MANUFACTURE OF NEP INHIBITORS NOVARTIS AG (CH) 2018-05-30 EP disclosed