SCHEMBL3870321

SCHEMBL3870321

NC(=O)COCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CXCR6 O00574 1/20 0.49
LTA4H P09960 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.45
OPRK1 P41145 1/20 0.45
ATF4 P18848 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL3870324 1.00 KMT2A (0.51) KMT2AMEN1CXCR6LTA4HMAPT
SCHEMBL3869586 0.84 ATF4 (0.66) KMT2AMEN1CXCR6LTA4HMAPT
SCHEMBL3869587 0.84 ATF4 (0.66) KMT2AMEN1CXCR6LTA4HMAPT
SCHEMBL13853081 0.83 MEN1 (0.57) KMT2AMEN1CXCR6LTA4HMAPT
SCHEMBL3871504 0.83 MEN1 (0.57) KMT2AMEN1CXCR6LTA4HMAPT
SCHEMBL3869202 0.82 MEN1 (0.59) KMT2AMEN1CXCR6LTA4HMAPT
SCHEMBL3869200 0.82 MEN1 (0.59) KMT2AMEN1CXCR6LTA4HMAPT
SCHEMBL3870001 0.81 NPC1 (0.48) KMT2AMEN1CXCR6LTA4HMAPT
SCHEMBL3869999 0.81 NPC1 (0.48) KMT2AMEN1CXCR6LTA4HMAPT
SCHEMBL3873444 0.80 NPC1 (0.53) KMT2AMEN1CXCR6LTA4HLMNA

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-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP claimed