SCHEMBL7331751

SCHEMBL7331751

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.54
▸ FCER2 P06734 2/20 0.48
▸ MMP1 P03956 2/20 0.48
▸ CTSD P07339 1/20 0.46
▸ PGA5 P0DJD9 1/20 0.46
▸ CTSE P14091 1/20 0.46
▸ PGC P20142 1/20 0.46
▸ EED O75530 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ PTPN1 P18031 1/20 0.45

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
SCHEMBL7336138 0.89 REN (0.51) RENFCER2MMP1CTSDPGA5
SCHEMBL7331287 0.88 REN (0.63) RENCTSDPGA5CTSEPGC
SCHEMBL7338835 0.88 REN (0.46) RENFCER2MMP1CTSDPGA5
SCHEMBL7335155 0.86 REN (0.46) REN
SCHEMBL7338182 0.86 REN (0.51) RENFCER2MMP1CTSDPGA5
SCHEMBL7333230 0.86 REN (0.49) RENFCER2MMP1CTSDPGA5
SCHEMBL7336427 0.83 FCER2 (0.49) RENFCER2MMP1PTPN1
SCHEMBL7333169 0.77 REN (0.48) RENMMP1CTSDCTSE
SCHEMBL23870381 0.76 FCER2 (0.61) RENFCER2MMP1
SCHEMBL7302253 0.76 FCER2 (0.61) RENFCER2MMP1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456185-B1 Renin inhibitors ABBOTT LAB (US) 1995-05-31 — — EP claimed
US-5284849-A Treating hypertension and congestive heart failure ABBOTT LABORATORIES (US) 1994-02-08 — — US claimed
EP-0456185-A2 Renin inhibitors ABBOTT LABORATORIES (US) 1991-11-13 — — EP claimed
EP-0456185-B1 Renin inhibitors ABBOTT LAB (US) 1995-05-31 — — EP disclosed
US-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 — — US disclosed
US-5310740-A Congestive heart failure, hypotensive agents, antiglaucoma agents; side effect reduction ABBOTT LABORATORIES (US) 1994-05-10 — — US disclosed
US-5284849-A Treating hypertension and congestive heart failure ABBOTT LABORATORIES (US) 1994-02-08 — — US disclosed
EP-0456185-A2 Renin inhibitors ABBOTT LABORATORIES (US) 1991-11-13 — — EP disclosed
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