SCHEMBL2738510

SCHEMBL2738510

CC(C)N1CCN(C[C@H](C(N)=O)c2ccc(C(F)(F)F)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MC4R P32245 2/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ AKT1 P31749 2/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL2738553 1.00 PDE2A (0.38) PDE2AMAPK1MC4RCDK2HTR2A
SCHEMBL8225734 0.91 RPS6KB1 (0.38) PDE2AMAPK1MC4RCDK2HTR2A
SCHEMBL684792 0.90 PAX8 (0.39) PDE2AMAPK1MC4RCDK2FFAR1
SCHEMBL684943 0.90 PAX8 (0.39) PDE2AMAPK1MC4RCDK2FFAR1
SCHEMBL679705 0.89 PDE2A (0.39) PDE2AMAPK1MC4RCDK2FFAR1
SCHEMBL680794 0.89 PDE2A (0.39) PDE2AMAPK1MC4RCDK2FFAR1
SCHEMBL2738567 0.89 MC4R (0.41) PDE2AMAPK1MC4RCDK2HTR2A
SCHEMBL2738568 0.89 MC4R (0.41) PDE2AMAPK1MC4RCDK2HTR2A
SCHEMBL12292609 0.84 MC4R (0.42) MC4RRPS6KB1AKT1
SCHEMBL2738828 0.84 PDE2A (0.45) PDE2AEPHX2

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