SCHEMBL7337448

SCHEMBL7337448

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCCN(C)CC1)c1cscn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.39
AVPR1A P37288 3/20 0.36
AVPR1B P47901 2/20 0.36
CHRM1 P11229 1/20 0.35
HSD17B10 Q99714 1/20 0.33
TSHR P16473 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
SCHEMBL7338969 0.97 REN (0.39) RENAVPR1AAVPR1BHSD17B10
SCHEMBL7331364 0.88 REN (0.48) REN
SCHEMBL7333921 0.88 REN (0.41) RENTSHR
SCHEMBL7329392 0.86 REN (0.38) RENTSHR
SCHEMBL7328871 0.86 AVPR1A (0.38) RENAVPR1AAVPR1BCHRM1HSD17B10
SCHEMBL7333037 0.85 REN (0.38) RENAVPR1AAVPR1BCHRM1HSD17B10
SCHEMBL7339618 0.85 REN (0.45) RENAVPR1BCHRM1HSD17B10
SCHEMBL7331684 0.84 AVPR1A (0.37) RENAVPR1AAVPR1BCHRM1HSD17B10
SCHEMBL7330902 0.84 REN (0.36) RENTSHR
SCHEMBL7337437 0.82 AVPR1A (0.40) RENAVPR1AAVPR1BCHRM1HSD17B10

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