SCHEMBL7859128

SCHEMBL7859128

NCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
CHRNA1 P02708 5/20 0.51
CHRNG P07510 5/20 0.51
CHRNB1 P11230 5/20 0.51
CHRND Q07001 5/20 0.51
CTNNB1 P35222 1/20 0.49
GRIA1 P42261 2/20 0.49
FCER2 P06734 3/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL7857087 0.94 MMP2 (0.59) CALCRLMMP2MMP9MMP8CHRNA1
SCHEMBL7857865 0.90 FCER2 (0.60) MMP2MMP9MMP8CHRNA1CHRNG
SCHEMBL7850349 0.88 OPRD1 (0.50) MMP2MMP9MMP8CHRNA1CHRNG
SCHEMBL8163585 0.88 MMP2 (0.49) CALCRLMMP2MMP9MMP8CHRNA1
Trifluoroacetic Acid SCHEMBL7860784 0.85 FCER2 (0.57) MMP2MMP9MMP8CHRNA1CHRNG
Trifluoroacetic Acid SCHEMBL7857126 0.84 OPRD1 (0.47) MMP2MMP9MMP8CHRNA1CHRNG
SCHEMBL7857984 0.84 GRIA1 (0.55) CALCRLMMP2MMP8CHRNA1CHRNG
SCHEMBL29616642 0.83 MME (0.57) MMP2FCER2
SCHEMBL7855910 0.82 FCER2 (0.47) MMP2MMP9MMP8CHRNA1CHRNG
SCHEMBL7857825 0.81 CALCRL (0.46) CALCRLMMP2MMP9MMP8CHRNA1

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