SCHEMBL7374474

SCHEMBL7374474

CSCC[C@H](N)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
CTSC P53634 1/20 0.47
SLC6A9 P48067 10/20 0.46
SLC6A5 Q9Y345 6/20 0.46
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
PGGT1B P53609 3/20 0.45
TSHR P16473 1/20 0.45
F7 P08709 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
SCHEMBL7303552 0.87 CTSC (0.48) CTSCFNTAFNTBPGGT1BTSHR
SCHEMBL7375880 0.84 OPRM1 (0.51) SLC6A9SLC6A5TSHRF7
SCHEMBL30052536 0.81 FNTA (0.55) FNTAFNTBPGGT1B
SCHEMBL7370114 0.81 SLC6A9 (0.49) SLC6A9SLC6A5TSHRF7
SCHEMBL7317840 0.80 CTSC (0.51) MMP2CTSCFNTAFNTBPGGT1B
SCHEMBL7371275 0.80 SLC6A9 (0.53) SLC6A9SLC6A5TSHRF7
Hydrochloric Acid SCHEMBL11327258 0.79 OPRD1 (0.50) FNTAFNTBPGGT1B
SCHEMBL7305453 0.79 CNR1 (0.57) CTSCFNTAFNTBPGGT1B
SCHEMBL13927675 0.79 CTSC (0.50) MMP2CTSCFNTAFNTBPGGT1B
SCHEMBL7313421 0.78 POLB (0.55) CTSC

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
WO-1994027958-A1 4-AMIDINOPHENYLSULPHONAMIDES FOR THE TREATMENT OF THROMBO-EMBOLITIC CONDITIONS BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 WO disclosed