SCHEMBL7369511

SCHEMBL7369511

C[C@@H](CCNC(=O)O)CC(O)c1cncn1COCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
KCNA5 P22460 4/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMD11 O00231 1/20 0.35
PSMD12 O00232 1/20 0.35
PSMD14 O00487 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMD3 O43242 1/20 0.35
PSMC3 P17980 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 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
SCHEMBL7372987 0.83 L3MBTL1 (0.36) CYP11B1CYP11B2L3MBTL1KCNA5PSMB11
SCHEMBL7316105 0.76 CYP11B1 (0.39) CYP11B1CYP11B2PSMB11PSMD11PSMD12
SCHEMBL7316104 0.76 CYP11B1 (0.39) CYP11B1CYP11B2PSMB11PSMD11PSMD12
SCHEMBL7316112 0.76 CYP11B1 (0.39) CYP11B1CYP11B2PSMB11PSMD11PSMD12
Hydrochloric Acid SCHEMBL7285811 0.75 CYP11B1 (0.43) CYP11B1CYP11B2L3MBTL1LMNACYP1A2
SCHEMBL7320000 0.72 CA1 (0.36) CYP11B1CYP11B2LMNAHTTCYP1A2
SCHEMBL7313914 0.70 CTSK (0.42) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL7313899 0.70 CTSK (0.42) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL3712784 0.70 ACE2 (0.39) CYP11B1CYP11B2
SCHEMBL7326827 0.69 CYP11B1 (0.38) CYP11B1CYP11B2LMNAHTTCYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed