SCHEMBL10521853

SCHEMBL10521853

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(=Cc1ccccc1)CC(=O)NCc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ CASP6 P55212 2/20 0.35
▸ CASP8 Q14790 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ PSMB8 P28062 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34

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 0.88 HRH4 (0.36) SMN1; SMN2ANPEPPSMB8PSMB5CTSS
SCHEMBL10522976 0.85 ANPEP (0.40) ANPEPMMP2MMP3PSMB8PSMB5
SCHEMBL10521848 0.84 NLN (0.48) —
SCHEMBL10521837 0.83 ALDH1A1 (0.33) ATMALDH1A1MMP2MMP3
SCHEMBL10521842 0.83 ALDH1A1 (0.33) ATMALDH1A1MMP2MMP3
SCHEMBL8486193 0.77 HRH4 (0.45) ANPEPMMP2CTSSCTSK
SCHEMBL8486197 0.77 HRH4 (0.45) ANPEPMMP2CTSSCTSK
SCHEMBL9800539 0.76 ALDH1A1 (0.34) ATMALDH1A1TDP1POLBLMNA
SCHEMBL10519245 0.74 MMP9 (0.32) MMP2MMP3
SCHEMBL10519252 0.74 MMP9 (0.32) MMP2MMP3

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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