SCHEMBL7266716

SCHEMBL7266716

CCCC[C@H](NC(=S)[C@H](Cc1ncccn1)Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.45
▸ ACE P12821 2/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ FOLH1 Q04609 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ TGM2 P21980 1/20 0.40
▸ BDKRB2 P30411 1/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ PYGL P06737 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ CTNNB1 P35222 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ REN P00797 1/20 0.37

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
SCHEMBL7268227 0.88 CTSK (0.42) MMEACECPA1ACE2ITGB1
SCHEMBL7266726 0.79 MME (0.48) MMEACECPA1ACE2FOLH1
SCHEMBL7267230 0.78 MME (0.48) MMEACECPA1ACE2FOLH1
SCHEMBL7268308 0.77 MME (0.47) MMEACECPA1ACE2FOLH1
SCHEMBL10867308 0.77 HRH4 (0.56) MMEACECPA1ACE2FOLH1
SCHEMBL10867305 0.77 HRH4 (0.56) MMEACECPA1ACE2FOLH1
SCHEMBL7280881 0.76 CTSK (0.46) MMEACECPA1ACE2FOLH1
SCHEMBL7278135 0.75 HRH4 (0.53) MMEACECPA1ACE2FOLH1
SCHEMBL7267914 0.75 HRH4 (0.53) MMEACECPA1ACE2FOLH1
SCHEMBL7276401 0.74 MME (0.52) MMEACECPA1ACE2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 — — EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 — — US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 — — US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 — — US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 — — US disclosed
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