SCHEMBL10519260

SCHEMBL10519260

NNC(=O)n1cnc(C[C@H](NC(=O)C(=Cc2ccccc2)CC(=O)NCc2cccc3ccccc23)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ MME P08473 2/20 0.34
▸ ACE P12821 2/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL10523789 0.77 HRH4 (0.36) GAAHRH4MMEACECPA1
SCHEMBL10748543 0.76 HRH4 (0.44) HRH4MMEACECPA1ACE2
SCHEMBL10523009 0.74 HRH4 (0.45) HRH4MMEACECPA1ACE2
SCHEMBL10521853 0.73 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHPGDANPEPPSMB8
SCHEMBL10748408 0.73 HRH4 (0.44) HRH4MMEACECPA1ACE2
SCHEMBL10522092 0.72 HRH4 (0.47) HRH4MMEACECPA1ACE2
SCHEMBL10519909 0.72 KMT2A (0.52) GAASMN1; SMN2LMNAHPGDCHRNB2
SCHEMBL10752421 0.72 HRH4 (0.42) HRH4MMEACECPA1ACE2
SCHEMBL10753477 0.71 HRH4 (0.42) HRH4MMEACECPA1ACE2
SCHEMBL10421173 0.70 REN (0.46) HRH4MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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