SCHEMBL7354895

SCHEMBL7354895

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
REN P00797 1/20 0.36
AGTR2 P50052 1/20 0.36
CYP19A1 P11511 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 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
SCHEMBL9556577 0.86 LTA4H (0.37) HPGD
SCHEMBL7354901 0.84 HRH4 (0.44) HRH4RENCYP19A1ALDH1A1HPGD
SCHEMBL9556425 0.79 LTA4H (0.43)
SCHEMBL9556709 0.79 LTA4H (0.34) RENHPGD
SCHEMBL9556548 0.78 REN (0.35) REN
SCHEMBL9556729 0.77 REN (0.44) REN
SCHEMBL9556344 0.76 HRH4 (0.58) HRH4CYP19A1
SCHEMBL9556396 0.76 LTA4H (0.41)
SCHEMBL9556549 0.76 REN (0.45) RENALDH1A1HPGD
SCHEMBL9556448 0.76 GAA (0.43) RENALDH1A1HPGD

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