SCHEMBL7487191

SCHEMBL7487191

CCCC[C@H](O)[C@@H](CC1CC1)C(=O)C1(N)N=C(c2ccc(C(F)(F)F)cc2)c2ccccc2N(Cc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.36
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KCNH2 Q12809 1/20 0.35
AGTR1 P30556 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL7424211 0.93 NPSR1 (0.36) NPSR1PRKAG1PRKAA1PRKAB1GAA
SCHEMBL7429071 0.92 CRHR1 (0.36) NPSR1KCNH2
SCHEMBL7486538 0.89 PSEN1 (0.40) KCNH2
SCHEMBL7482520 0.89 PSEN1 (0.40) KCNH2
SCHEMBL7598317 0.89 PSEN1 (0.40) KCNH2
SCHEMBL7484257 0.89 PSEN1 (0.40) KCNH2
SCHEMBL7485394 0.87 PSEN1 (0.40)
SCHEMBL7492663 0.86 PSEN1 (0.39)
SCHEMBL7485500 0.86 PSEN1 (0.44) KCNH2
SCHEMBL7254021 0.81 CCKBR (0.34) GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212306-A2 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-12 EP disclosed
WO-2001019797-A2 HYDROXYALKANOYL AMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-03-22 WO disclosed