SCHEMBL381541

SCHEMBL381541

CNC(=O)ON1CCC(N2CCC(Cc3c(Cl)cc(-c4ccc(C)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.34
CXCR3 P49682 1/20 0.31
CHRNA7 P36544 1/20 0.31
SRC P12931 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
TP53 P04637 1/20 0.31
MCHR1 Q99705 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
POLB P06746 1/20 0.30
TACR2 P21452 1/20 0.30
TACR1 P25103 1/20 0.30
TACR3 P29371 1/20 0.30
BRD4 O60885 1/20 0.30
HRH1 P35367 1/20 0.30
CCR3 P51677 1/20 0.30
KCNH2 Q12809 1/20 0.30
LMNA P02545 1/20 0.30
EBP Q15125 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
SCHEMBL381812 0.94 CHRM3 (0.33) HSD11B1TP53
SCHEMBL381499 0.90 MCHR1 (0.34) HSD11B1MCHR1HRH3
SCHEMBL381359 0.90 KIT (0.33) TACR1DHCR7
SCHEMBL381324 0.90 KIT (0.33) TACR1DHCR7
SCHEMBL380833 0.90 MCHR1 (0.33) HSD11B1MCHR1HRH3HRH1
SCHEMBL381332 0.90 MCHR1 (0.34) HSD11B1MCHR1HRH3
SCHEMBL380490 0.90 AKR1C2 (0.37) AKR1C2AKR1C1MCHR1
SCHEMBL13031212 0.86 MAPT (0.43) MAPTHSD11B1CXCR3TP53HRH1
SCHEMBL381000 0.86 MAPT (0.43) MAPTHSD11B1CXCR3TP53HRH1
SCHEMBL381006 0.85 NAMPT (0.34) CXCR3HRH3HRH1CCR3

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-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP claimed