SCHEMBL7437882

SCHEMBL7437882

CC(C)CC(N)C(O)C[S+]([O-])C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.33
ANPEP P15144 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
PEPD P12955 1/20 0.30
XPNPEP1 Q9NQW7 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
Hydrochloric Acid SCHEMBL7434448 0.98 REN (0.33) RENANPEPDNPEPPEPDXPNPEP1
SCHEMBL22250100 0.77 SHBG (0.30)
SCHEMBL7441663 0.69 SLC2A1 (0.37) RENXPNPEP1
SCHEMBL7443370 0.69 CA1 (0.43) REN
Hydrochloric Acid SCHEMBL7436251 0.68 SLC2A1 (0.40) REN
SCHEMBL27939257 0.66 ALDH1A1 (0.30)
SCHEMBL7279876 0.66 REN (0.55) REN
SCHEMBL9417316 0.66 REN (0.45) REN
SCHEMBL10893754 0.65 TSHR (0.45) ANPEPDNPEP
SCHEMBL7359493 0.65 CYP2C19 (0.42) RENANPEPXPNPEP1

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
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed