SCHEMBL2738493

SCHEMBL2738493

NC(=O)[C@@H](CN1CCSCC1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ AKR1C3 P42330 1/20 0.40
▸ 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
▸ DPP4 P27487 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ SLC6A9 P48067 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MC4R P32245 1/20 0.37

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
SCHEMBL8223221 1.00 NTSR1 (0.46) NTSR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2738589 0.87 NTSR1 (0.56) NTSR1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2739137 0.87 NTSR1 (0.56) NTSR1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL8223281 0.87 NTSR1 (0.56) NTSR1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2738767 0.87 NTSR1 (0.59) NTSR1ALDH1A1KDM4EADRB2ADRB1
SCHEMBL12188342 0.86 NTSR1 (0.46) NTSR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL14295174 0.86 NTSR1 (0.46) NTSR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL680738 0.83 NTSR1 (0.44) NTSR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL681420 0.83 NTSR1 (0.44) NTSR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8225296 0.83 ALDH1A1 (0.47) NTSR1ALDH1A1HPGDADRB2ADRB1

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
Send feedback