SCHEMBL7505078

SCHEMBL7505078

N=C(N)c1ccc2ccn(C3CCN(c4ccc(-c5ccccc5)c(S(N)(=O)=O)c4F)C3=O)c2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.33
F10 P00742 10/20 0.32
PRSS1 P07477 5/20 0.32
FPR1 P21462 6/20 0.32
FPR2 P25090 6/20 0.32
PLG P00747 2/20 0.30
PLAU P00749 2/20 0.30
PLAT P00750 1/20 0.30
KLK1 P06870 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
SCHEMBL7520638 0.89 FPR1 (0.35) F2F10PRSS1FPR1FPR2
SCHEMBL6859806 0.82 F10 (0.43) F2F10PRSS1
SCHEMBL6853311 0.75 F10 (0.42) F10
SCHEMBL6853164 0.74 F10 (0.53) F10FPR1FPR2
Hydrochloric Acid SCHEMBL27594880 0.72 ANPEP (0.35) F10FPR1FPR2
SCHEMBL6984298 0.67 F10 (0.51) F10FPR1FPR2
SCHEMBL6988835 0.67 F10 (0.47) F10FPR2
SCHEMBL27613671 0.65 FPR1 (0.39) F10FPR1FPR2
SCHEMBL6810146 0.64 F10 (0.39) F10FPR1FPR2
SCHEMBL6984447 0.63 F10 (0.43) F10FPR1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002080853-A2 FUSED HETEROCYCLIC INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-17 WO claimed
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 EP disclosed
EP-3353157-B1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS UNIV CARNEGIE MELLON (US) 2021-11-24 EP disclosed
EP-0914206-B1 LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS UNIV CARNEGIE MELLON (US) 2002-12-11 EP disclosed
WO-2002080853-A2 FUSED HETEROCYCLIC INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-17 WO disclosed
US-6011152-A REACTING STOICHIOMETRIC AMOUNTS OR MORE OF AN AMINO CARBOXYLIC ACID OR A PROTECTED/ACTIVATED FOR THEREOF WITH AN ACTIVATED DERVATIVE SELECTED FROM THE GROUP CONSISTING OF OXALATES AND MALONATES IN THE PRESENCE OF A SOLVENT AND HEAT CARNEGIE MELLON UNIVERSITY (US) 2000-01-04 US disclosed