SCHEMBL8645241

SCHEMBL8645241

CCCP(=O)(N[C@@H](CC(C)C)C(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)OC)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 7/20 0.39
NOS2 P35228 3/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
PRTN3 P24158 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ANPEP P15144 2/20 0.33
LAP3 P28838 1/20 0.33
CCKAR P32238 1/20 0.32

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
SCHEMBL8648847 0.88 BTN3A1 (0.42) BTN3A1PRTN3TAS1R3TAS1R1ANPEP
SCHEMBL8648850 0.87 BTN3A1 (0.41) BTN3A1NOS2NOS3NOS1PRTN3
SCHEMBL8648854 0.85 BTN3A1 (0.40) BTN3A1TAS1R3TAS1R1POLB
SCHEMBL8414853 0.72 NOS3 (0.44) NOS2NOS3NOS1GRNSORT1
Hydrochloric Acid SCHEMBL7402748 0.72 NOS3 (0.42) NOS2NOS3NOS1GRNSORT1
SCHEMBL9617379 0.71 KMT2A (0.54) NOS2MAPT
SCHEMBL8639130 0.67 ANPEP (0.44) TAS1R3TAS1R1ANPEP
SCHEMBL12621365 0.66 ANPEP (0.47) BTN3A1NOS2NOS3NOS1TAS1R3
SCHEMBL19441145 0.66 BTN3A1 (0.70) BTN3A1PRTN3POLB
SCHEMBL19441149 0.66 BTN3A1 (0.70) BTN3A1PRTN3POLB

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
US-5760285-A METALLOPEPTIDASE INHIBITORS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed