SCHEMBL8119124

SCHEMBL8119124

CC(=O)c1ccc(CN[C@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ MC1R Q01726 1/20 0.36
▸ NPY1R P25929 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ ADAM17 P78536 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ KISS1R Q969F8 3/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ TMPRSS11D O60235 2/20 0.33

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
SCHEMBL8119391 0.88 NPY1R (0.43) F2MC4RMC3RMC1RNPY1R
SCHEMBL8114868 0.88 MC4R (0.37) F2TLR2MC4RMC3RMC1R
Hydrochloric Acid SCHEMBL7040129 0.87 CYP2C9 (0.37) F2TLR2MC4RMC3RMC1R
SCHEMBL8127587 0.87 CYP2C19 (0.40) F2TLR2MC4RMC3RMC1R
Hydrochloric Acid SCHEMBL8120993 0.87 NPY1R (0.42) F2MC4RMC3RMC1RNPY1R
SCHEMBL8119098 0.85 NPC1 (0.38) —
SCHEMBL8119120 0.83 SPHK1 (0.41) F2NPY1REPHX2NR1H4CA1
SCHEMBL8120727 0.81 F2 (0.39) F2TLR2MC4RMC3RMC1R
Trifluoroacetic Acid SCHEMBL8114483 0.80 CHIT1 (0.38) F2NPY1R
SCHEMBL8120172 0.80 NPY1R (0.61) NPY1R

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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