SCHEMBL7329328

SCHEMBL7329328

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCOCC1)c1cscn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.46
PSMB5 P28074 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CTSS P25774 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL7331301 0.91 REN (0.45) RENCTSS
SCHEMBL7332502 0.90 KMT2A (0.41) RENPSMB5CTSSKMT2A
SCHEMBL7339560 0.88 REN (0.36) RENCTSS
SCHEMBL7339618 0.88 REN (0.45) RENCTSS
SCHEMBL7336480 0.86 REN (0.38) RENGAALMNAALDH1A1HTT
SCHEMBL7331049 0.85 REN (0.35) RENCTSSKMT2A
SCHEMBL7339877 0.85 LMNA (0.38) RENGAALMNAALDH1A1HTT
SCHEMBL9556549 0.85 REN (0.45) RENPSMB5ALDH1A1MEN1KMT2A
SCHEMBL7331364 0.84 REN (0.48) RENPSMB5ALDH1A1MEN1KMT2A
SCHEMBL7376719 0.84 REN (0.46) RENALDH1A1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310740-A Congestive heart failure, hypotensive agents, antiglaucoma agents; side effect reduction ABBOTT LABORATORIES (US) 1994-05-10 US claimed
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