SCHEMBL7330457

SCHEMBL7330457

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCOCC1)c1cncs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.39
LMNA P02545 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2D6 P10635 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
CTSS P25774 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
OPRL1 P41146 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
SCHEMBL7339498 0.91 REN (0.38) RENCYP3A4CTSSOPRL1
SCHEMBL7331323 0.90 KMT2A (0.41) RENKMT2ACTSSOPRL1
SCHEMBL7338484 0.88 REN (0.38) RENCYP3A4CTSSOPRL1
SCHEMBL7328094 0.88 CTSS (0.32) RENCTSS
SCHEMBL7332394 0.85 RORC (0.32) RENKMT2ACTSS
SCHEMBL7338635 0.84 REN (0.42) RENALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7329328 0.83 REN (0.46) RENLMNAALDH1A1HTTCYP2C19
SCHEMBL7337422 0.83 REN (0.40) RENLMNAALDH1A1HTTCYP2C19
SCHEMBL7336480 0.83 REN (0.38) RENLMNAALDH1A1HTTCYP2C19
SCHEMBL7339877 0.81 LMNA (0.38) RENLMNAALDH1A1HTTCYP2C19

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