SCHEMBL2738486

SCHEMBL2738486

NC(=O)[C@H](CN1CCNCC1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.52
▸ SLC6A4 P31645 7/20 0.52
▸ CYP2D6 P10635 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ SLC6A3 Q01959 5/20 0.40
▸ SLC6A9 P48067 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL2738473 1.00 SLC6A2 (0.52) SLC6A2SLC6A4CYP2D6CYP19A1NTSR1
SCHEMBL8223281 0.87 NTSR1 (0.56) SLC6A2SLC6A4CYP2D6NTSR1ALDH1A1
SCHEMBL2738767 0.87 NTSR1 (0.59) CYP2D6NTSR1KDM4EALDH1A1ADRB2
SCHEMBL2739137 0.87 NTSR1 (0.56) SLC6A2SLC6A4CYP2D6NTSR1ALDH1A1
SCHEMBL2738589 0.87 NTSR1 (0.56) SLC6A2SLC6A4CYP2D6NTSR1ALDH1A1
SCHEMBL12188340 0.86 SLC6A2 (0.52) SLC6A2SLC6A4CYP2D6CYP19A1NTSR1
SCHEMBL12188341 0.86 SLC6A2 (0.52) SLC6A2SLC6A4CYP2D6CYP19A1NTSR1
SCHEMBL2738594 0.85 SMN1; SMN2 (0.53) SLC6A2SLC6A4CYP2D6CYP19A1NTSR1
SCHEMBL680962 0.83 SLC6A2 (0.50) SLC6A2SLC6A4CYP2D6CYP19A1NTSR1
SCHEMBL679657 0.83 SLC6A2 (0.50) SLC6A2SLC6A4CYP2D6CYP19A1NTSR1

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 9 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
WO-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 — — WO disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 — — WO 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-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 — — WO 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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