SCHEMBL7354901

SCHEMBL7354901

C[C@@H](N)C(=O)N(C(=O)C(Cc1ccccc1)Cn1ccnc1)c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
REN P00797 1/20 0.37
CYP19A1 P11511 3/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
TBXAS1 P24557 1/20 0.35

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
SCHEMBL7354895 0.84 HRH4 (0.43) HRH4RENCYP19A1ALDH1A1HPGD
SCHEMBL9556441 0.79 LTA4H (0.42)
SCHEMBL9556719 0.78 LAP3 (0.33) HPGD
SCHEMBL9556736 0.76 REN (0.45) RENALDH1A1L3MBTL1HPGD
SCHEMBL7415889 0.75 REN (0.46) REN
SCHEMBL9556463 0.74 REN (0.48) RENALDH1A1
SCHEMBL9556541 0.74 PSMB5 (0.39) REN
SCHEMBL9556569 0.73 FFAR2 (0.32)
SCHEMBL9556613 0.73 KMT2A (0.43) ALDH1A1L3MBTL1HPGD
SCHEMBL7349893 0.73 REN (0.36) RENALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US claimed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 WO claimed
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed