SCHEMBL7382898

SCHEMBL7382898

COC(=O)CCCC1(O)CCCCC1NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.39
▸ ALDH1A1 P00352 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ CCKAR P32238 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL7382826 0.91 REN (0.48) RENMEN1KMT2A
SCHEMBL7384315 0.86 REN (0.52) RENMEN1KMT2AHDAC3HDAC4
SCHEMBL7381042 0.86 REN (0.48) RENMEN1KMT2A
SCHEMBL7382869 0.77 REN (0.60) RENMEN1KMT2A
SCHEMBL7334391 0.76 REN (0.67) REN
SCHEMBL7382756 0.72 REN (0.61) RENMEN1KMT2A
SCHEMBL7383047 0.71 REN (0.63) RENMEN1KMT2A
SCHEMBL7386226 0.70 REN (0.60) REN
SCHEMBL7331420 0.68 REN (0.61) REN
SCHEMBL9228473 0.65 ALDH1A1 (0.56) RENALDH1A1PKMMEN1KMT2A

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
US-5023338-A Renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-11 — — US claimed
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