SCHEMBL9417371

SCHEMBL9417371

COc1ccc(C[C@H](NC(=O)CCCCCNC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.49
▸ CCKBR P32239 1/20 0.46
▸ PSMB1 P20618 7/20 0.46
▸ PSMB5 P28074 7/20 0.46
▸ PSMB2 P49721 7/20 0.46
▸ BMP1 P13497 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ CTSL P07711 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ F2 P00734 1/20 0.43

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
SCHEMBL10337144 0.94 PTGER4 (0.47) PTPN1PSMB1PSMB5PSMB2BMP1
SCHEMBL11012331 0.88 REN (0.51) PTPN1CCKBRPSMB1PSMB5PSMB2
SCHEMBL9417215 0.85 ITGB3 (0.49) PTPN1CCKBRNPY1RNPY2RNPY4R
SCHEMBL7448118 0.85 REN (0.53) PTPN1CCKBRPSMB1PSMB5PSMB2
SCHEMBL7441309 0.81 ITGB3 (0.46) PTPN1CCKBR
SCHEMBL19051462 0.81 BMP1 (0.54) BMP1
SCHEMBL8910628 0.81 KMT2A (0.56) —
SCHEMBL9417356 0.81 HDAC1 (0.56) HDAC8
SCHEMBL1661198 0.79 CTSL (0.57) PTPN1CTSL
SCHEMBL10408619 0.78 MMP1 (0.46) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 — — EP disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 — — US disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 — — US disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 — — US disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 — — US disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 — — EP disclosed
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