SCHEMBL381372

SCHEMBL381372

CNC(=O)ON1CCC(N2CCC(Cc3c(Cl)cc(-c4ccccc4C(F)(F)F)cc3Cl)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
P2RX7 Q99572 3/20 0.35
LMNA P02545 1/20 0.34
HSD11B1 P28845 1/20 0.34
CYP27A1 Q02318 1/20 0.34
CYP24A1 Q07973 1/20 0.34
SCN9A Q15858 3/20 0.32
CHRM3 P20309 6/20 0.32
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
NOTUM Q6P988 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL381546 0.88 LMNA (0.42) MCHR1P2RX7LMNAHSD11B1CYP27A1
SCHEMBL13031216 0.88 LMNA (0.42) MCHR1P2RX7LMNAHSD11B1CYP27A1
SCHEMBL381332 0.86 MCHR1 (0.34) MCHR1HSD11B1SCN9ACHRM3
SCHEMBL381499 0.86 MCHR1 (0.34) MCHR1HSD11B1SCN9ACHRM3
SCHEMBL381134 0.85 CNR1 (0.36) MCHR1LMNASCN9ACHRM3
SCHEMBL381812 0.84 CHRM3 (0.33) HSD11B1CHRM3
SCHEMBL380490 0.84 AKR1C2 (0.37) MCHR1SCN9ACHRM3KDM1A
SCHEMBL381541 0.83 MAPT (0.34) MCHR1LMNAHSD11B1
SCHEMBL380467 0.83 TP53 (0.42) P2RX7SCN9ASCN5A
SCHEMBL13031202 0.83 TP53 (0.42) P2RX7SCN9ASCN5A

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