SCHEMBL7336887

SCHEMBL7336887

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(C)CC1)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.38
ALDH1A1 P00352 1/20 0.38
AVPR1A P37288 3/20 0.38
F10 P00742 5/20 0.37
HSD17B10 Q99714 1/20 0.36
AVPR1B P47901 1/20 0.36
HSPA1A P0DMV8 1/20 0.35
HSPA5 P11021 1/20 0.35
HSPA9 P38646 1/20 0.35
HSPA2 P54652 1/20 0.35
F2 P00734 3/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
PRSS1 P07477 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL7333037 0.97 REN (0.38) RENALDH1A1AVPR1AF10HSD17B10
SCHEMBL7339328 0.92 REN (0.43) REN
SCHEMBL7332487 0.92 REN (0.42) RENALDH1A1F10HSPA1AHSPA5
SCHEMBL7341341 0.90 ALDH1A1 (0.36) RENALDH1A1F10HSPA1AHSPA5
SCHEMBL7332191 0.87 REN (0.35) RENALDH1A1F10HSPA1AHSPA5
SCHEMBL7338969 0.84 REN (0.39) RENAVPR1AHSD17B10AVPR1BPLG
SCHEMBL7331419 0.84 AVPR1A (0.39) ALDH1A1AVPR1AHSD17B10AVPR1BPLG
SCHEMBL7330956 0.84 REN (0.46) RENALDH1A1F10HSD17B10F2
SCHEMBL7337437 0.82 AVPR1A (0.40) RENAVPR1AHSD17B10AVPR1BPLG
SCHEMBL7337448 0.81 REN (0.39) RENAVPR1AHSD17B10AVPR1B

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