SCHEMBL7859178

SCHEMBL7859178

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 7/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
MMP1 P03956 2/20 0.49
MMP3 P08254 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 1/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
CALCRL Q16602 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7857066 0.89 MMP8 (0.66) MMP8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7850380 0.88 CHRNB2 (0.58) MMP8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8360599 0.85 NLN (0.55) MMP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8360597 0.85 NLN (0.55) MMP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8360596 0.85 NLN (0.55) MMP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1244320 0.85 CHRNB2 (0.55) MMP8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18522509 0.83 PLAAT3 (0.58) MMP1MMP3MMP2PLAAT3PLAAT5
SCHEMBL7857980 0.81 LNPEP (0.55) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL1246343 0.81 LNPEP (0.55) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL7857085 0.81 MMP2 (0.56) MMP8CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed