SCHEMBL7751906

SCHEMBL7751906

N=C(N)c1cccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2cc(Br)c(N)c(Br)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 9/20 0.49
CTSL P07711 3/20 0.48
CTSS P25774 3/20 0.48
F10 P00742 5/20 0.47
PRSS1 P07477 4/20 0.47
F2 P00734 5/20 0.47
TMPRSS6 Q8IU80 2/20 0.45
PLG P00747 1/20 0.45
KLKB1 P03952 1/20 0.45
PROC P04070 1/20 0.45
F7 P08709 1/20 0.45
MMP1 P03956 1/20 0.44
FCER2 P06734 1/20 0.44
CALCRL Q16602 1/20 0.43

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
SCHEMBL7058205 0.86 NPY1R (0.57) CTSBCTSLCTSSF10PRSS1
SCHEMBL7798487 0.86 NPY1R (0.57) CTSBCTSLCTSSF10PRSS1
SCHEMBL8526149 0.85 F2 (0.54) CTSBCTSLCTSSF10PRSS1
SCHEMBL8118532 0.83 CTSB (0.56) CTSBCTSLCTSSKLKB1MMP1
SCHEMBL7802851 0.83 F2 (0.54) CTSBCTSLCTSSF10PRSS1
SCHEMBL4651814 0.79 NPY1R (0.53) CALCRL
SCHEMBL4651774 0.79 NPY1R (0.53) CALCRL
SCHEMBL7750594 0.78 KLKB1 (0.53) CTSBCTSLCTSSF10PRSS1
SCHEMBL8121714 0.78 NPY1R (0.59) CTSBCTSLCTSS
SCHEMBL8125925 0.77 CALCRL (0.58) CALCRL

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
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed