SCHEMBL9701731

SCHEMBL9701731

COP(=O)(Cc1nc2cc3ccccc3cc2nc1CC(N)C(=O)OCc1ccccc1)OC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.38
LAP3 P28838 2/20 0.38
SLC15A1 P46059 1/20 0.37

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
SCHEMBL9700620 0.88
SCHEMBL9700745 0.80 CYP1A2 (0.42)
SCHEMBL9701943 0.80 KDM4E (0.38) LAP3
SCHEMBL21189144 0.72 ALDH1A1 (0.45) LTA4HLAP3SLC15A1
SCHEMBL21189194 0.72 ALDH1A1 (0.45) LTA4HLAP3SLC15A1
SCHEMBL9701735 0.72 LTA4H (0.35) LTA4HLAP3SLC15A1
SCHEMBL22764974 0.71 TACR1 (0.53) LTA4HLAP3SLC15A1
SCHEMBL7099710 0.71 TACR1 (0.53) LTA4HLAP3SLC15A1
SCHEMBL7099704 0.71 TACR1 (0.53) LTA4HLAP3SLC15A1
SCHEMBL73707 0.69 SLC7A5 (0.63) LTA4HLAP3SLC15A1

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
WO-1992014740-A1 QUINOXALINE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 WO disclosed
US-5118675-A Therapy for central nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed