SCHEMBL7307138

SCHEMBL7307138

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NTSR1 P30989 1/20 0.49
▸ KCNA3 P22001 1/20 0.48
▸ YAP1 P46937 1/20 0.48
▸ REN P00797 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.46
▸ STS P08842 1/20 0.46
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46

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
SCHEMBL7381400 1.00 KMT2A (0.51) KMT2AMAPK1MAPTNPSR1MEN1
SCHEMBL9326765 0.90 KMT2A (0.55) KMT2AMAPK1MAPTNPSR1MEN1
SCHEMBL7305910 0.90 KMT2A (0.55) KMT2AMAPK1MAPTNPSR1MEN1
SCHEMBL7304469 0.86 KDM4E (0.57) KMT2AMAPK1MEN1YAP1GPR119
SCHEMBL7304465 0.86 KDM4E (0.57) KMT2AMAPK1MEN1YAP1GPR119
SCHEMBL7305721 0.82 KMT2A (0.52) KMT2AMAPK1L3MBTL1KCNA3YAP1
SCHEMBL7305718 0.82 KMT2A (0.52) KMT2AMAPK1L3MBTL1KCNA3YAP1
SCHEMBL951538 0.81 KMT2A (0.59) KMT2AMAPK1MAPTNPSR1MEN1
SCHEMBL9354386 0.81 SIGMAR1 (0.60) KMT2AMAPK1MEN1YAP1GPR119
SCHEMBL7275022 0.81 KMT2A (0.50) KMT2AMAPK1MAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417698-B1 Amino acid derivatives having renin-inhibiting activity, process for their preparation, agents containing them, and their use HOECHST AG (DE) 1996-03-13 — — EP disclosed
US-5374731-A Treatment of high blood pressure, congestive heart failure and viral disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 — — US 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
Send feedback