SCHEMBL7280997

SCHEMBL7280997

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ALOX5 P09917 1/20 0.32
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL28358210 0.84 KDM4E (0.40) KDM4EALDH1A1TSHR
SCHEMBL16287666 0.84 KDM4E (0.40) KDM4EALDH1A1TSHR
SCHEMBL7444200 0.75 USP30 (0.37) ALOX5
SCHEMBL9297595 0.75 USP30 (0.37) ALOX5
SCHEMBL28517018 0.74 KDM4E (0.39) KDM4EALDH1A1TSHR
SCHEMBL3161028 0.72 KDM4E (0.41) KDM4EALDH1A1TSHR
SCHEMBL7401869 0.71 KDM4E (0.38) KDM4EALDH1A1TSHR
SCHEMBL7393970 0.71 KDM4E (0.38) KDM4EALDH1A1TSHR
SCHEMBL27572710 0.71 KDM4E (0.44) KDM4EALDH1A1TSHR
SCHEMBL11354719 0.70 KDM4E (0.42) KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed