SCHEMBL9832185

SCHEMBL9832185

CC(C)SCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.38
METAP2 P50579 6/20 0.35
METAP1 P53582 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL5671311 0.80 REN (0.40) RENMETAP2METAP1
SCHEMBL7321856 0.79 REN (0.40) RENMETAP2METAP1
SCHEMBL9833386 0.79 REN (0.40) RENMETAP2METAP1
SCHEMBL10610858 0.79 REN (0.37) RENMETAP2METAP1
SCHEMBL9831980 0.79 REN (0.37) RENMETAP2METAP1
SCHEMBL5670653 0.78 REN (0.38) RENMETAP2METAP1
SCHEMBL7436405 0.77 REN (0.42) RENMETAP2METAP1MEN1KMT2A
SCHEMBL9831663 0.77 REN (0.38) RENMETAP2METAP1MEN1KMT2A
SCHEMBL9260446 0.77 REN (0.37) RENMETAP2METAP1
SCHEMBL7435879 0.76 REN (0.41) RENMETAP2METAP1MEN1KMT2A

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