SCHEMBL7624554

SCHEMBL7624554

N#CCNC(=O)C(Br)CCBr

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.39
CTSS P25774 8/20 0.39
CTSC P53634 1/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL7624555 1.00 CTSK (0.39) CTSKCTSSCTSCCTSLCTSB
SCHEMBL7624561 1.00 CTSK (0.39) CTSKCTSSCTSCCTSLCTSB
SCHEMBL7615945 0.81 MAPT (0.34)
SCHEMBL7615942 0.81 MAPT (0.34)
SCHEMBL7615947 0.81 MAPT (0.34)
SCHEMBL7617300 0.81 CAPN1 (0.34) CTSS
SCHEMBL7617304 0.81 CAPN1 (0.34) CTSS
SCHEMBL7617309 0.81 CAPN1 (0.34) CTSS
SCHEMBL2078726 0.78 ZDHHC7 (0.33)
SCHEMBL8507691 0.74 CYP2C19 (0.45)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620225-B1 Cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2002-11-13 EP disclosed
US-5523400-A 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1996-06-04 US disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 EP disclosed