SCHEMBL7303979

SCHEMBL7303979

CCOC(=O)CCN(C(=O)[C@H](CC(=O)N(C)[C@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccccc1C(=O)O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7305842 0.93 F2 (0.37) F2
SCHEMBL9283351 0.84 F2 (0.35) F2ALDH1A1
SCHEMBL7298314 0.82 F2 (0.42) F2HPGD
SCHEMBL8947611 0.80 CA12 (0.36) F2LMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL7304125 0.80 CA12 (0.36) F2LMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL7293781 0.80 F2 (0.46) F2L3MBTL1ALDH1A1
SCHEMBL8947624 0.79 F2 (0.44) F2L3MBTL1ALDH1A1
SCHEMBL7294941 0.79 F2 (0.34) F2
SCHEMBL7299072 0.78 F2 (0.38) F2
SCHEMBL9164171 0.78 F2 (0.54) F2

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
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP disclosed