SCHEMBL7329936

SCHEMBL7329936

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(C)CC1)n1cccn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.40
HSD17B10 Q99714 1/20 0.36
AVPR1B P47901 3/20 0.36
CAPN1 P07384 2/20 0.34
TSHR P16473 1/20 0.34
CHRM1 P11229 3/20 0.34
REN P00797 2/20 0.34
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 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
SCHEMBL7335478 0.97 AVPR1A (0.38) AVPR1AHSD17B10AVPR1BCAPN1TSHR
SCHEMBL7332734 0.91 REN (0.42) REN
SCHEMBL7338004 0.91 KMT2A (0.39) AVPR1ACAPN1TSHRRENF2
SCHEMBL7338775 0.88 CAPN1 (0.34) AVPR1ACAPN1TSHRRENF2
SCHEMBL7330557 0.86 AVPR1A (0.38) AVPR1AHSD17B10AVPR1BCAPN1TSHR
SCHEMBL7335615 0.86 F2 (0.34) AVPR1ACAPN1TSHRRENF2
SCHEMBL7337567 0.84 REN (0.38) AVPR1AHSD17B10TSHRCHRM1REN
SCHEMBL9437478 0.83 KMT2A (0.41) AVPR1AREN
SCHEMBL7330563 0.83 AVPR1A (0.36) AVPR1AHSD17B10AVPR1BCAPN1TSHR
SCHEMBL7330525 0.81 REN (0.38) AVPR1AHSD17B10AVPR1BTSHRCHRM1

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