SCHEMBL7337353

SCHEMBL7337353

C[C@H](Nc1csc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CC[N+](C)([O-])CC2)n1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 14/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ CTSE P14091 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSPA1A P0DMV8 1/20 0.35
▸ HSPA5 P11021 1/20 0.35
▸ HSPA9 P38646 1/20 0.35
▸ HSPA2 P54652 1/20 0.35

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 0.89 ALDH1A1 (0.40) RENALDH1A1TP53MAPK1L3MBTL1
SCHEMBL7333169 0.88 REN (0.48) RENALDH1A1TP53MAPK1L3MBTL1
SCHEMBL7329310 0.88 REN (0.48) RENCTSDCTSE
SCHEMBL7332589 0.86 REN (0.39) RENALDH1A1TP53MAPK1L3MBTL1
SCHEMBL7336873 0.83 REN (0.40) RENALDH1A1TP53MAPK1L3MBTL1
SCHEMBL7333230 0.78 REN (0.49) RENMMP1CTSDCTSE
SCHEMBL7339453 0.74 KMT2A (0.42) —
SCHEMBL7341341 0.73 ALDH1A1 (0.36) RENALDH1A1HSPA1AHSPA5HSPA9
SCHEMBL7333972 0.73 TSHR (0.35) RENALDH1A1TP53
SCHEMBL7329392 0.73 REN (0.38) REN

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