SCHEMBL7726855

SCHEMBL7726855

NCCC[C@@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccccc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC4 P56524 5/20 0.42
HDAC3 O15379 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL21436299 1.00 F2 (0.42) F2HDAC1HDAC4HDAC3HDAC7
SCHEMBL7726848 1.00 F2 (0.42) F2HDAC1HDAC4HDAC3HDAC7
SCHEMBL7728632 0.92 KDM4E (0.43) F2HDAC1HDAC4HDAC3HDAC7
SCHEMBL21523166 0.92 KDM4E (0.43) F2HDAC1HDAC4HDAC3HDAC7
SCHEMBL1246412 0.92 KDM4E (0.43) F2HDAC1HDAC4HDAC3HDAC7
SCHEMBL1245431 0.92 KDM4E (0.43) F2HDAC1HDAC4HDAC3HDAC7
SCHEMBL21436291 0.92 KDM4E (0.43) F2HDAC1HDAC4HDAC3HDAC7
SCHEMBL1246123 0.89 ACP1 (0.44) F2HDAC1HDAC4HDAC3HDAC7
SCHEMBL7731595 0.88 MEN1 (0.41) F2HDAC1HDAC4HDAC3HDAC7
SCHEMBL7730966 0.87 MAPT (0.44) HDAC1HDAC4HDAC3HDAC7HDAC2

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-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed