SCHEMBL2738763

SCHEMBL2738763

CN1CCN(C[C@@H](C(N)=O)c2ccc(OC(F)(F)F)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.46
▸ SLC6A2 P23975 8/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ WNT3A P56704 1/20 0.38

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
SCHEMBL8220500 1.00 PDE2A (0.46) PDE2ASLC6A2SLC6A4ALDH1A1CYP2D6
SCHEMBL2738966 1.00 PDE2A (0.46) PDE2ASLC6A2SLC6A4ALDH1A1CYP2D6
SCHEMBL684914 0.90 PDE2A (0.44) PDE2ASLC6A2SLC6A4ALDH1A1CYP2D6
SCHEMBL16151899 0.90 PDE2A (0.44) PDE2ASLC6A2SLC6A4ALDH1A1CYP2D6
SCHEMBL2738828 0.89 PDE2A (0.45) PDE2AEPHX2
SCHEMBL681009 0.88 PDE2A (0.43) PDE2ASLC6A2SLC6A4ALDH1A1CYP2D6
SCHEMBL680796 0.88 PDE2A (0.43) PDE2ASLC6A2SLC6A4ALDH1A1CYP2D6
SCHEMBL2738791 0.86 PDE2A (0.43) PDE2AEPHX2
SCHEMBL2738788 0.85 PDE2A (0.42) PDE2AEPHX2
SCHEMBL2738568 0.83 MC4R (0.41) PDE2ASLC6A2SLC6A4MAPTMAPK1

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 4 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
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 — — WO disclosed
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