SCHEMBL7338102

SCHEMBL7338102

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNC(=O)C1)c1cc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.34
TSHR P16473 2/20 0.34
RORC P51449 1/20 0.33
GFER P55789 1/20 0.32
REN P00797 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AVPR1A P37288 1/20 0.32
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.31
LMNA P02545 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
PLG P00747 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL7332211 0.89 REN (0.39) F2TSHRRENKMT2AAVPR1A
SCHEMBL7330902 0.88 REN (0.36) F2TSHRRORCGFERREN
SCHEMBL7337437 0.86 AVPR1A (0.40) TSHRRENAVPR1APLG
SCHEMBL7338390 0.85 REN (0.42) RENMEN1KMT2A
SCHEMBL7334862 0.85 RORC (0.33) RORCGFERMEN1KMT2AL3MBTL1
SCHEMBL7332191 0.84 REN (0.35) F2TSHRRENPLG
SCHEMBL7330043 0.84 F2 (0.37) F2TSHRRORCGFERREN
SCHEMBL7339274 0.83 TSHR (0.34) F2TSHRRENAVPR1ACA12
SCHEMBL7328871 0.83 AVPR1A (0.38) F2TSHRRENAVPR1APLG
SCHEMBL7332535 0.81 F2 (0.35) F2TSHRRORCGFERREN

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