SCHEMBL381324

SCHEMBL381324

CNC(=O)ON1CCC(N2CC[C@@H](Cc3c(Cl)cc(-c4ccc(OC(C)C)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.33
FFAR4 Q5NUL3 5/20 0.33
PTGDR Q13258 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
HTR2A P28223 3/20 0.32
DHCR7 Q9UBM7 1/20 0.32
THRB P10828 1/20 0.32
ACACB O00763 1/20 0.32
TACR1 P25103 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
SCHEMBL381359 1.00 KIT (0.33) KITFFAR4PTGDRTRPV4HTR2A
SCHEMBL381541 0.90 MAPT (0.34) DHCR7TACR1
SCHEMBL381812 0.90 CHRM3 (0.33)
SCHEMBL381236 0.88 FFAR4 (0.35) KITFFAR4PTGDRTRPV4HTR2A
SCHEMBL381556 0.88 FFAR4 (0.35) KITFFAR4PTGDRTRPV4HTR2A
SCHEMBL380490 0.87 AKR1C2 (0.37) FFAR4
SCHEMBL380833 0.86 MCHR1 (0.33)
SCHEMBL381332 0.86 MCHR1 (0.34)
SCHEMBL381499 0.86 MCHR1 (0.34)
SCHEMBL13031220 0.84 HTR2A (0.35) KITFFAR4PTGDRHTR2ADHCR7

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