SCHEMBL7729661

SCHEMBL7729661

NC[C@@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccc(F)cc3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.39
MASP2 O00187 1/20 0.37
F11 P03951 1/20 0.37
HDAC1 Q13547 2/20 0.36
KLKB1 P03952 2/20 0.36
SCN9A Q15858 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
HDAC4 P56524 1/20 0.35
PSMB5 P28074 1/20 0.35
BDKRB2 P30411 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7731285 1.00 F2 (0.39) F2MASP2F11HDAC1KLKB1
SCHEMBL21523181 1.00 F2 (0.39) F2MASP2F11HDAC1KLKB1
SCHEMBL7731268 1.00 F2 (0.39) F2MASP2F11HDAC1KLKB1
SCHEMBL21436222 1.00 F2 (0.39) F2MASP2F11HDAC1KLKB1
SCHEMBL21436291 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL21523166 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL7728632 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL1245431 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL1246412 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL7731762 0.91 F2 (0.40) F2MASP2F11HDAC1KLKB1

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