SCHEMBL10756718

SCHEMBL10756718

COC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.53
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL7333736 1.00 REN (0.53) RENMMP2MMP9MMP8TSHR
SCHEMBL10422508 0.92 REN (0.52) RENMMP2MMP9MMP8
Water SCHEMBL10422512 0.91 REN (0.52) RENMMP2MMP9MMP8
SCHEMBL10874442 0.90 REN (0.52) RENMMP2MMP9MMP8
SCHEMBL7336372 0.90 REN (0.52) RENMMP2MMP9MMP8
SCHEMBL10420799 0.89 REN (0.55) REN
SCHEMBL10421161 0.88 REN (0.49) RENMMP2MMP9MMP8
SCHEMBL10421591 0.86 REN (0.56) REN
SCHEMBL10422015 0.86 REN (0.58) RENMMP2MMP9MMP8PSMB8
SCHEMBL7283916 0.86 REN (0.48) RENMMP2MMP9MMP8TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4656269-A RENIN INHIBITORY EFFECT WHEN ADMINISTERING ORALLY; HYPOTENSIVE AGENTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1987-04-07 — — US disclosed
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