SCHEMBL7327399

SCHEMBL7327399

CCCC(NC(=O)OC(C)(C)C)C(=O)OC(=O)C(O)C(N)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 3/20 0.48
METAP2 P50579 5/20 0.43
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
METAP1 P53582 3/20 0.39
CACNA1B Q00975 4/20 0.37
REN P00797 1/20 0.37
HTRA1 Q92743 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
SCHEMBL7337095 0.94 CTSK (0.47) CTSKCTSSMETAP2HDAC4HDAC1
SCHEMBL7303335 0.79 METAP2 (0.49) CTSKCTSSMETAP2METAP1REN
SCHEMBL7429150 0.76 CTSK (0.44) CTSKCTSSMETAP2HDAC4HDAC1
SCHEMBL7327395 0.76 CTSS (0.54) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7327391 0.76 CTSK (0.52) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7327404 0.76 CTSK (0.52) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3610662 0.75 CTSK (0.64) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7264708 0.75 CTSK (0.54) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3610659 0.75 CTSK (0.64) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL8233824 0.75 CTSK (0.54) CTSKCTSSHDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5095119-A Renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-10 US disclosed
US-5075451-A Pyrrolimidazolones useful as renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-24 US disclosed
US-5023338-A Renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-11 US disclosed