SCHEMBL7333169

SCHEMBL7333169

C[C@H](Nc1csc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCNCC2)n1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.48
▸ MMP1 P03956 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP8 P22894 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CTSD P07339 1/20 0.36
▸ CTSE P14091 1/20 0.36
▸ HSPA1A P0DMV8 1/20 0.36
▸ HSPA5 P11021 1/20 0.36
▸ HSPA9 P38646 1/20 0.36
▸ HSPA2 P54652 1/20 0.36

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
SCHEMBL7329922 0.91 ALDH1A1 (0.40) RENMMP1MMP2MMP9MMP8
SCHEMBL7329310 0.90 REN (0.48) RENCTSDCTSE
SCHEMBL7336873 0.90 REN (0.40) RENMMP1MMP2MMP9MMP8
SCHEMBL7337353 0.88 REN (0.38) RENMMP1MMP2MMP9MMP8
SCHEMBL7332589 0.88 REN (0.39) RENTP53MAPK1L3MBTL1ALDH1A1
SCHEMBL7331751 0.77 REN (0.54) RENMMP1CTSDCTSE
SCHEMBL7335155 0.73 REN (0.46) REN
SCHEMBL7335450 0.71 REN (0.58) RENCTSDCTSE
SCHEMBL7333921 0.71 REN (0.41) REN
SCHEMBL7332487 0.71 REN (0.42) RENALDH1A1HSPA1AHSPA5HSPA9

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
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
Send feedback