SCHEMBL4645865

SCHEMBL4645865

CN1CCCC(N(C)c2nc3ccc(NC(=O)Oc4ccc(-c5ccc(F)cc5)cc4)cc3s2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KCNH2 Q12809 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
NTMT1 Q9BV86 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 3/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPK1 P28482 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL4641230 0.95 PTGDR2 (0.42) PTGDR2HCRTR1HCRTR2KMT2AMAPT
SCHEMBL4641465 0.90 KMT2A (0.41) PTGDR2HCRTR1HCRTR2KMT2AMAPT
SCHEMBL13054193 0.88 POLB (0.48) PTGDR2HCRTR1HCRTR2MAPTPOLB
SCHEMBL4641189 0.86 CHRM3 (0.41) KMT2AMAPTPOLBTHRBLMNA
SCHEMBL13054240 0.83 HTR1F (0.49) PTGDR2MAPTPOLBTHRBLMNA
SCHEMBL4643538 0.81 MCHR1 (0.41) KCNH2KMT2AMAPTPOLBTDP1
SCHEMBL4643115 0.81 PTGDR2 (0.43) PTGDR2KCNH2MALT1MAPTPOLB
SCHEMBL4647290 0.81 MAPT (0.39) KMT2AMAPTPOLBTHRBLMNA
SCHEMBL4643018 0.80 MAPT (0.39) KCNH2KMT2AMAPTPOLBTHRB
SCHEMBL4641475 0.80 MAPT (0.45) KMT2AMAPTPOLBTHRBLMNA

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