SCHEMBL7275022

SCHEMBL7275022

CC(C)(C)OC(=O)NC1CCN(C(=O)C[C@@H](Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KCNA3 P22001 1/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ NPC1L1 Q9UHC9 2/20 0.44
▸ CCR5 P51681 1/20 0.44

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
SCHEMBL7275016 1.00 KMT2A (0.50) KMT2AL3MBTL1KCNA3MAPK1NAMPT
SCHEMBL7296868 0.90 MAPT (0.50) KMT2AL3MBTL1KCNA3MAPK1NAMPT
SCHEMBL9326303 0.90 MAPT (0.50) KMT2AL3MBTL1KCNA3MAPK1NAMPT
SCHEMBL7298127 0.86 KDM4E (0.52) KMT2AMAPK1DRD2CKS1BSKP1
SCHEMBL7298121 0.86 KDM4E (0.52) KMT2AMAPK1DRD2CKS1BSKP1
SCHEMBL7294982 0.86 CTSS (0.46) KMT2AL3MBTL1KCNA3NAMPTDRD2
SCHEMBL7294978 0.86 CTSS (0.46) KMT2AL3MBTL1KCNA3NAMPTDRD2
SCHEMBL7304024 0.82 KMT2A (0.52) KMT2AL3MBTL1KCNA3MAPK1DRD2
SCHEMBL7304028 0.82 KMT2A (0.52) KMT2AL3MBTL1KCNA3MAPK1DRD2
SCHEMBL7298317 0.82 KMT2A (0.48) KMT2AL3MBTL1KCNA3MAPK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712417-A Inhibitors of retroviral proteases ABBOTT LABORATORIES (US) 1998-01-27 — — US disclosed
US-5374731-A Treatment of high blood pressure, congestive heart failure and viral disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 — — US disclosed
EP-0410278-B1 Renin inhibiting aminooligohydroxy-derivatives HOECHST AG (DE) 1994-01-19 — — EP disclosed
WO-1992007845-A1 DERIVATIVES OF AMINO ACIDS AS INHIBITORS OF RENIN, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-14 — — WO disclosed
EP-0483403-A1 Derivatives of amino acids as inhibitors of renin, methods for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-06 — — EP disclosed
EP-0417698-A2 Amino acid derivatives having renin-inhibiting activity, process for their preparation, agents containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 — — EP disclosed
EP-0410278-A1 Renin inhibiting aminooligohydroxy-derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-30 — — EP disclosed
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