SCHEMBL10258343

SCHEMBL10258343

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.35
▸ KCNA3 P22001 1/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ OPRM1 P35372 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ SLC18A3 Q16572 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ ACKR3 P25106 1/20 0.31
▸ USP14 P54578 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL684378 0.88 PAX8 (0.40) KCNA3HSD11B1OPRM1KDM4EUSP14
SCHEMBL680805 0.86 HSD11B1 (0.37) KCNA3HSD11B1OPRM1KDM4EALDH1A1
SCHEMBL2739269 0.86 AKT1 (0.41) GRM2KDM4EALDH1A1POLB
SCHEMBL12292976 0.86 HTR2A (0.35) GRM2KCNA3HSD11B1OPRM1TERT
SCHEMBL2739268 0.86 AKT1 (0.41) GRM2KDM4EALDH1A1POLB
SCHEMBL2738649 0.84 AKT1 (0.38) —
SCHEMBL2739260 0.84 AKT1 (0.38) —
SCHEMBL2738529 0.82 SLC18A3 (0.44) KCNA3HSD11B1KDM4ESLC18A3ALDH1A1
SCHEMBL17030316 0.82 PDE2A (0.35) GRM2KCNA3OPRM1KDM4EALDH1A1
SCHEMBL2738791 0.81 PDE2A (0.43) —

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
EP-2966065-A2 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-01-13 — — EP disclosed
EP-2402325-A2 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-04 — — EP disclosed
EP-2399909-A1 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as akt protein kinase inhibitors Array Biopharma, Inc. (US) 2011-12-28 — — EP disclosed
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