SCHEMBL7338889

SCHEMBL7338889

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1)n1ccnc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
REN P00797 5/20 0.39
NAMPT P43490 3/20 0.35
AGTR2 P50052 1/20 0.35
TSHR P16473 1/20 0.34
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
ROCK2 O75116 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
QRFPR Q96P65 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7330557 0.91 AVPR1A (0.38) RENAGTR2TSHRROCK2
SCHEMBL7332535 0.90 F2 (0.35) KMT2ARENAGTR2TSHRF2
SCHEMBL7329409 0.90 REN (0.42) KMT2ARENMEN1ALDH1A1
SCHEMBL7330563 0.88 AVPR1A (0.36) KMT2ARENAGTR2TSHRROCK2
SCHEMBL7338971 0.88 TSHR (0.34) KMT2ARENAGTR2TSHRF2
SCHEMBL7338004 0.86 KMT2A (0.39) KMT2ARENTSHRPLGPLAU
SCHEMBL7332084 0.84 KMT2A (0.43) KMT2ARENNAMPTAGTR2TSHR
SCHEMBL9437478 0.79 KMT2A (0.41) KMT2ARENMEN1ALDH1A1
SCHEMBL7332211 0.79 REN (0.39) KMT2ARENTSHRPLGPLAU
SCHEMBL7332487 0.78 REN (0.42) KMT2ARENPLGPLAUF2

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