SCHEMBL7733729

SCHEMBL7733729

Cc1ccc(O)c(NC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H]2C[C@H](CN)CN2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.42
MASP2 O00187 3/20 0.39
MMP8 P22894 3/20 0.39
PADI4 Q9UM07 1/20 0.39
PADI2 Q9Y2J8 1/20 0.39
GFER P55789 1/20 0.38
KCNMA1 Q12791 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CTSC P53634 1/20 0.36

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
SCHEMBL7731163 1.00 F2 (0.42) F2MASP2MMP8PADI4PADI2
SCHEMBL21436256 1.00 F2 (0.42) F2MASP2MMP8PADI4PADI2
SCHEMBL7733101 0.90 ALOX15 (0.45) F2MASP2PADI4PADI2KCNMA1
SCHEMBL7733115 0.90 ALOX15 (0.45) F2MASP2PADI4PADI2KCNMA1
SCHEMBL7729695 0.90 F2 (0.38) F2MASP2PADI4PADI2KLKB1
SCHEMBL7728852 0.90 F2 (0.38) F2MASP2PADI4PADI2KLKB1
SCHEMBL21436585 0.90 ALOX15 (0.45) F2MASP2PADI4PADI2KCNMA1
SCHEMBL21436279 0.90 F2 (0.38) F2MASP2PADI4PADI2KLKB1
SCHEMBL7721710 0.90 ALOX15 (0.45) F2MASP2PADI4PADI2KCNMA1
SCHEMBL21436233 0.87 MMP8 (0.37) F2MASP2MMP8PADI4PADI2

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