SCHEMBL7328871

SCHEMBL7328871

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCCN(C)CC1)c1cc[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.38
AVPR1B P47901 4/20 0.38
CHRM1 P11229 1/20 0.36
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
REN P00797 3/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 2/20 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
SCHEMBL7337437 0.97 AVPR1A (0.40) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7332211 0.88 REN (0.39) AVPR1ATSHRRENF2PLG
SCHEMBL7338390 0.88 REN (0.42) REN
SCHEMBL7337448 0.86 REN (0.39) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7339274 0.85 TSHR (0.34) AVPR1ATSHRRENF2PLG
SCHEMBL7338555 0.85 REN (0.36) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7338102 0.83 F2 (0.34) AVPR1ATSHRRENF2PLG
SCHEMBL7333037 0.83 REN (0.38) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7331684 0.83 AVPR1A (0.37) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7338969 0.82 REN (0.39) AVPR1AAVPR1BHSD17B10RENPLG

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