SCHEMBL7332502

SCHEMBL7332502

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCNCC1)c1cscn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
REN P00797 7/20 0.38
CTSS P25774 1/20 0.34
SLC6A4 P31645 1/20 0.33
OPRL1 P41146 1/20 0.31
PSMB5 P28074 1/20 0.30

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) RENCTSSOPRL1
SCHEMBL7331049 0.90 REN (0.35) KMT2ARENCTSS
SCHEMBL7329328 0.90 REN (0.46) KMT2ARENCTSSPSMB5
SCHEMBL7339618 0.88 REN (0.45) RENCTSSOPRL1
SCHEMBL7339560 0.88 REN (0.36) RENCTSS
SCHEMBL7333146 0.86 KMT2A (0.40) KMT2ARENCTSSSLC6A4OPRL1
SCHEMBL7337649 0.85 KMT2A (0.43) KMT2ARENCTSSSLC6A4
SCHEMBL7333921 0.84 REN (0.41) KMT2ARENSLC6A4PSMB5
SCHEMBL7376719 0.84 REN (0.46) RENCTSSOPRL1
SCHEMBL7338907 0.83 KMT2A (0.41) KMT2ARENCTSSSLC6A4OPRL1

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
EP-0456185-B1 Renin inhibitors ABBOTT LAB (US) 1995-05-31 EP disclosed
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