SCHEMBL9833229

SCHEMBL9833229

CC(C)CCC(=O)NCC(F)(F)C(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.45
REN P00797 2/20 0.36
CPB2 Q96IY4 3/20 0.35
ESR1 P03372 1/20 0.34
CTSK P43235 1/20 0.33
METAP2 P50579 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
MC4R P32245 1/20 0.33

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 0.80 CTSD (0.44) CTSDRENCPB2METAP2
SCHEMBL9833496 0.80 CTSD (0.44) CTSDRENCPB2METAP2
SCHEMBL9833236 0.73 CTSD (0.37) CTSDRENCPB2CTSKMETAP2
SCHEMBL9832812 0.72 REN (0.35) RENCPB2CTSKMETAP2MMP2
SCHEMBL9832260 0.72 CTSK (0.36) RENCTSKMETAP2
SCHEMBL7589493 0.72 REN (0.35) RENCTSKMETAP2
SCHEMBL7051728 0.72 REN (0.35) RENCTSKMETAP2
SCHEMBL10608625 0.72 REN (0.51) CTSDRENCPB2METAP2MMP2
SCHEMBL9831134 0.72 REN (0.51) CTSDRENCPB2METAP2MMP2
SCHEMBL7397008 0.72 EPHX1 (0.49) CTSDMMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US 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