SCHEMBL9833496

SCHEMBL9833496

CC(C)CCC(=O)NCC(F)(F)C(O)C(N)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.44
REN P00797 2/20 0.42
METAP2 P50579 7/20 0.40
METAP1 P53582 4/20 0.35
CPB2 Q96IY4 2/20 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
SCHEMBL10606263 1.00 CTSD (0.44) CTSDRENMETAP2METAP1CPB2
SCHEMBL10445670 0.88 REN (0.44) CTSDRENMETAP2METAP1
SCHEMBL9833229 0.80 CTSD (0.45) CTSDRENMETAP2CPB2
SCHEMBL9831134 0.78 REN (0.51) CTSDRENMETAP2METAP1CPB2
SCHEMBL10608625 0.78 REN (0.51) CTSDRENMETAP2METAP1CPB2
SCHEMBL7271640 0.77 CTSD (0.49) CTSDRENMETAP2METAP1CPB2
SCHEMBL10408931 0.77 CTSD (0.49) CTSDRENMETAP2METAP1CPB2
Hydrochloric Acid SCHEMBL9832396 0.77 REN (0.50) CTSDRENMETAP2METAP1CPB2
SCHEMBL7326847 0.73 REN (0.46) CTSDRENMETAP2METAP1CPB2
SCHEMBL10606277 0.73 CTSD (0.38) CTSDRENMETAP2METAP1CPB2

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-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed