SCHEMBL7857944

SCHEMBL7857944

CC(C)(C)CCNC(=O)[C@H](Cc1cnc2ccccc2c1)NC(=O)[C@H](N)CCCN

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ FCER2 P06734 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ CHRNA1 P02708 3/20 0.38
▸ CHRNG P07510 3/20 0.38
▸ CHRNB1 P11230 3/20 0.38
▸ CHRND Q07001 3/20 0.38
▸ TGM2 P21980 2/20 0.38
▸ GRIA1 P42261 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ TACR2 P21452 1/20 0.37

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
SCHEMBL7857825 0.87 CALCRL (0.46) MMP9MMP2MMP8CHRNB2CHRNB4
SCHEMBL7860837 0.86 MMP8 (0.44) MMP9MMP1FCER2MMP3MMP2
SCHEMBL7857107 0.84 MMP9 (0.46) MMP9MMP1FCER2MMP3MMP2
SCHEMBL7857101 0.84 MMP9 (0.45) MMP9MMP1FCER2MMP3MMP2
SCHEMBL7860797 0.84 MMP9 (0.46) MMP9MMP1FCER2MMP3MMP2
SCHEMBL8162601 0.84 MMP2 (0.50) MMP9MMP1FCER2MMP3MMP2
SCHEMBL7857911 0.82 MMP2 (0.44) MMP9FCER2MMP2MMP8
Trifluoroacetic Acid SCHEMBL7857833 0.81 MMP2 (0.46) MMP9MMP1FCER2MMP3MMP2
SCHEMBL1244207 0.77 SCN9A (0.51) MMP2HDAC4HDAC1
SCHEMBL7857954 0.75 MMP2 (0.43) MMP9MMP2MMP8

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
Send feedback