SCHEMBL7329409

SCHEMBL7329409

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSD P07339 2/20 0.40
PGA5 P0DJD9 2/20 0.40
CTSE P14091 2/20 0.40
PGC P20142 2/20 0.40

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
SCHEMBL7330557 0.91 AVPR1A (0.38) REN
SCHEMBL7338889 0.90 KMT2A (0.39) RENMEN1ALDH1A1KMT2A
SCHEMBL7330563 0.88 AVPR1A (0.36) RENMEN1ALDH1A1KMT2A
SCHEMBL7338971 0.88 TSHR (0.34) RENMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7332734 0.86 REN (0.42) RENMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7332535 0.85 F2 (0.35) RENMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7332722 0.84 LMNA (0.38) RENMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7339328 0.78 REN (0.43) RENCTSDPGA5CTSEPGC
SCHEMBL7338635 0.78 REN (0.42) RENMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7338390 0.78 REN (0.42) RENMEN1ALDH1A1KMT2ASMN1; SMN2

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