SCHEMBL11939488

SCHEMBL11939488

C=CCCCCC[C@H](N=O)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRHR P34981 1/20 0.35
ACE P12821 6/20 0.34
REN P00797 2/20 0.34
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL12070944 0.84 ACE (0.36) TRHRACERENDPP4
SCHEMBL12784272 0.84 DPP7 (0.46) ACERENDPP4
SCHEMBL7932659 0.76 HTR1A (0.50) DPP4
SCHEMBL12771027 0.75 HDAC4 (0.41) TRHRACEDPP4
SCHEMBL13766136 0.74 ITGB3 (0.47) ACE
SCHEMBL20953071 0.70 DPP4 (0.47) ACEDPP4
SCHEMBL6381431 0.68 DPP4 (0.43) DPP4
Hydrochloric Acid SCHEMBL11330390 0.67 DPP4 (0.57) DPP4
SCHEMBL2539994 0.65 DPP4 (0.42) ACERENDPP4
SCHEMBL10311685 0.65 ACE (0.49) ACERENDPP4

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-2276725-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2012-07-04 EP disclosed