SCHEMBL7266597

SCHEMBL7266597

CC(C)SC[C@@H](O)[C@H](O)[C@@H](N)CCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.41
METAP1 P53582 2/20 0.40
REN P00797 3/20 0.34
LNPEP Q9UIQ6 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7264762 1.00 METAP2 (0.41) METAP2METAP1RENLNPEPMEN1
SCHEMBL14420284 0.78 REN (0.45) METAP2METAP1RENMEN1KMT2A
SCHEMBL7361324 0.78 REN (0.45) METAP2METAP1RENMEN1KMT2A
SCHEMBL14415382 0.78 REN (0.45) METAP2METAP1RENMEN1KMT2A
Hydrochloric Acid SCHEMBL7441478 0.77 REN (0.44) METAP2METAP1REN
SCHEMBL10408618 0.77 CYP1A2 (0.40) METAP1MEN1KMT2A
SCHEMBL7266293 0.77 METAP2 (0.44) METAP2METAP1REN
SCHEMBL7266321 0.77 METAP2 (0.44) METAP2METAP1REN
SCHEMBL7852214 0.76 METAP2 (0.50) METAP2METAP1RENMEN1KMT2A
SCHEMBL3719549 0.76 METAP2 (0.50) METAP2METAP1RENMEN1KMT2A

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
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed