SCHEMBL10695575

SCHEMBL10695575

CC(C)CC(N)C(O)C(F)(F)CN

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.37
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
SLC7A5 Q01650 1/20 0.31
LAP3 P28838 2/20 0.30
ERAP1 Q9NZ08 1/20 0.30
CETP P11597 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
SCHEMBL18774942 0.80 TSHR (0.38) ANPEPALDH1A1TSHRMAPK1DNPEP
SCHEMBL18774945 0.80 TSHR (0.38) ANPEPALDH1A1TSHRMAPK1DNPEP
Hydrochloric Acid SCHEMBL8054309 0.78 TSHR (0.36) ANPEPALDH1A1TSHRMAPK1DNPEP
SCHEMBL8041011 0.77 ANPEP (0.30) ANPEPDNPEP
Hydrochloric Acid SCHEMBL8052324 0.76 GMNN (0.31)
SCHEMBL7337830 0.75 ANPEP (0.33) ANPEPALDH1A1TSHRMAPK1DNPEP
SCHEMBL7270284 0.73 ANPEP (0.33) ANPEPALDH1A1TSHRMAPK1DNPEP
SCHEMBL2953547 0.73 TSHR (0.39) ANPEPALDH1A1TSHRMAPK1DNPEP
SCHEMBL10445391 0.72 PSMB5 (0.41) ANPEPALDH1A1DNPEPSLC7A5
SCHEMBL10354928 0.72 ANPEP (0.35) ANPEPALDH1A1TSHRMAPK1DNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed