SCHEMBL7335353

SCHEMBL7335353

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1)n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.38
CTSS P25774 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM1 P11229 5/20 0.36
HRH4 Q9H3N8 1/20 0.33
CYP24A1 Q07973 1/20 0.33
KDM4E B2RXH2 5/20 0.32
MC4R P32245 1/20 0.32
TSHR P16473 1/20 0.32
MCL1 Q07820 1/20 0.32
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7337426 0.97 REN (0.38) RENCTSSHSD17B10CHRM1HRH4
SCHEMBL7332722 0.90 LMNA (0.38) RENCTSSTSHRALDH1A1
SCHEMBL7332084 0.90 KMT2A (0.43) RENCTSSHRH4CYP24A1TSHR
SCHEMBL9437442 0.89 CTSS (0.36) RENCTSSHRH4CYP24A1
SCHEMBL7329117 0.88 CTSS (0.34) RENCTSSHRH4CYP24A1
SCHEMBL7337567 0.86 REN (0.38) RENCTSSHSD17B10CHRM1KDM4E
SCHEMBL7335130 0.85 RORC (0.34) CTSSHRH4CYP24A1
SCHEMBL7375598 0.85 HSD17B10 (0.43) RENHSD17B10CHRM1ALDH1A1
SCHEMBL7330557 0.84 AVPR1A (0.38) RENHSD17B10CHRM1TSHR
SCHEMBL7330525 0.83 REN (0.38) RENCTSSHSD17B10CHRM1KDM4E

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