SCHEMBL4641230

SCHEMBL4641230

CN1CCC(N(C)c2nc3ccc(NC(=O)Oc4ccc(-c5ccc(F)cc5)cc4)cc3s2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.42
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APP P05067 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4645865 0.95 PTGDR2 (0.41) PTGDR2KMT2AHCRTR1HCRTR2MAPT
SCHEMBL4641465 0.95 KMT2A (0.41) PTGDR2KMT2AMCHR1HCRTR1HCRTR2
SCHEMBL13054240 0.88 HTR1F (0.49) PTGDR2MCHR1MAPTTHRBLMNA
SCHEMBL4641189 0.87 CHRM3 (0.41) KMT2AMAPTTHRBLMNAPOLB
SCHEMBL4643538 0.86 MCHR1 (0.41) KMT2AMCHR1MAPTPOLBTDP1
SCHEMBL13054193 0.83 POLB (0.48) PTGDR2MCHR1HCRTR1HCRTR2MAPT
SCHEMBL5248402 0.82 HTR1F (0.52) MCHR1MAPTTHRBLMNAPOLB
SCHEMBL4647290 0.81 MAPT (0.39) KMT2AMAPTTHRBLMNAPOLB
SCHEMBL4643018 0.80 MAPT (0.39) KMT2AMAPTTHRBLMNAPOLB
SCHEMBL4641475 0.80 MAPT (0.45) KMT2AMCHR1MAPTTHRBLMNA

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-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed