SCHEMBL17030316

SCHEMBL17030316

NC(=O)[C@H](CN1CCC(O)CC1)c1ccc(CC(F)(F)F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.35
▸ GRM2 Q14416 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KCNA3 P22001 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ EPHX1 P07099 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
SCHEMBL2738649 0.84 AKT1 (0.38) PDE2AKCNH2EPHX1
SCHEMBL2739260 0.84 AKT1 (0.38) PDE2AKCNH2EPHX1
SCHEMBL2739268 0.82 AKT1 (0.41) GRM2ALDH1A1KDM4E
SCHEMBL2739269 0.82 AKT1 (0.41) GRM2ALDH1A1KDM4E
SCHEMBL10258343 0.82 GRM2 (0.35) GRM2ALDH1A1KCNA3OPRM1KDM4E
SCHEMBL12292976 0.82 HTR2A (0.35) GRM2HTR2AHTR2CKCNA3OPRM1
SCHEMBL2738791 0.82 PDE2A (0.43) PDE2A
SCHEMBL2738777 0.76 TACR2 (0.47) ALDH1A1SLC6A3KDM4E
SCHEMBL681291 0.74 EPHX2 (0.41) PDE2A
SCHEMBL680793 0.74 EPHX2 (0.41) PDE2A

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-2402325-B1 Hydroxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-08-26 — — EP disclosed
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