SCHEMBL7329922

SCHEMBL7329922

C[C@H](Nc1csc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCN(C)CC2)n1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ REN P00797 14/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSPA1A P0DMV8 1/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ HSPA9 P38646 1/20 0.38
▸ HSPA2 P54652 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ CTSE P14091 1/20 0.37

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
SCHEMBL7332589 0.97 REN (0.39) ALDH1A1RENLMNAMAPTHPGD
SCHEMBL7329310 0.91 REN (0.48) RENCTSDCTSE
SCHEMBL7333169 0.91 REN (0.48) ALDH1A1RENTP53MAPK1L3MBTL1
SCHEMBL7337353 0.89 REN (0.38) ALDH1A1RENSMN1; SMN2TP53MAPK1
SCHEMBL7336873 0.86 REN (0.40) ALDH1A1RENTP53MAPK1L3MBTL1
SCHEMBL7336138 0.76 REN (0.51) RENMMP1CTSDCTSE
SCHEMBL7338182 0.73 REN (0.51) RENMMP1CTSDCTSE
SCHEMBL7332174 0.73 MMP2 (0.51) ALDH1A1LMNAMAPTTP53MMP1
SCHEMBL7332179 0.73 MMP2 (0.51) ALDH1A1LMNAMAPTTP53MMP1
SCHEMBL7335450 0.72 REN (0.58) RENCTSDCTSE

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