SCHEMBL7339498

SCHEMBL7339498

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1)c1cncs1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
HSD17B10 Q99714 1/20 0.36
CTSS P25774 1/20 0.35
CHRM1 P11229 5/20 0.33
OPRL1 P41146 1/20 0.33
CYP3A4 P08684 2/20 0.32
F10 P00742 1/20 0.32
AVPR1A P37288 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LTA4H P09960 1/20 0.31
PLG P00747 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL7338484 0.97 REN (0.38) RENHSD17B10CTSSCHRM1OPRL1
SCHEMBL7331323 0.91 KMT2A (0.41) RENCTSSOPRL1F10LTA4H
SCHEMBL7330457 0.91 REN (0.39) RENCTSSOPRL1CYP3A4
SCHEMBL7328094 0.89 CTSS (0.32) RENCTSS
SCHEMBL7332394 0.86 RORC (0.32) RENCTSS
SCHEMBL7331419 0.84 AVPR1A (0.39) HSD17B10AVPR1APLGTSHR
SCHEMBL7330956 0.84 REN (0.46) RENHSD17B10CTSSCHRM1OPRL1
SCHEMBL7331301 0.83 REN (0.45) RENHSD17B10CTSSCHRM1OPRL1
SCHEMBL7332856 0.82 REN (0.38) RENHSD17B10CTSSCHRM1OPRL1
SCHEMBL7331684 0.81 AVPR1A (0.37) RENHSD17B10CHRM1AVPR1APLG

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