SCHEMBL2738529

SCHEMBL2738529

NC(=O)[C@H](CN1CCC(O)CC1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.40
▸ HSD11B1 P28845 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KCNA3 P22001 1/20 0.38
▸ IGF1R P08069 3/20 0.37
▸ PRCP P42785 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL8217369 0.86 NTSR1 (0.45) NTSR1ALDH1A1
SCHEMBL2738773 0.86 KCNA3 (0.38) ALDH1A1MAPK1KCNA3MITFHTT
SCHEMBL12028792 0.86 NTSR1 (0.45) NTSR1ALDH1A1
SCHEMBL12188415 0.86 SLC18A3 (0.44) SLC18A3HSP90AA1NTSR1ALDH1A1HSD11B1
SCHEMBL680811 0.84 SLC18A3 (0.42) SLC18A3HSP90AA1NTSR1ALDH1A1HSD11B1
SCHEMBL10258343 0.82 GRM2 (0.35) SLC18A3ALDH1A1HSD11B1KDM4EKCNA3
SCHEMBL2738777 0.80 TACR2 (0.47) ALDH1A1KDM4ELMNA
SCHEMBL2738669 0.80 IGF1R (0.44) HSP90AA1NTSR1ALDH1A1KDM4EL3MBTL1
SCHEMBL2738488 0.78 OPRK1 (0.43) NTSR1
SCHEMBL17424875 0.78 OPRK1 (0.43) NTSR1

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 6 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
EP-2049501-B1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-14 — — 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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