SCHEMBL4641189

SCHEMBL4641189

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.41
MAPT P10636 7/20 0.40
THRB P10828 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 3/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAPK1 P28482 2/20 0.38
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
CACNA1B Q00975 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
SCHEMBL4647290 0.92 MAPT (0.39) CHRM3MAPTTHRBLMNAPOLB
SCHEMBL4643018 0.91 MAPT (0.39) CHRM3MAPTTHRBLMNAPOLB
SCHEMBL13054237 0.88 POLB (0.48) MAPTTHRBLMNAPOLBTP53
SCHEMBL4641230 0.87 PTGDR2 (0.42) MAPTTHRBLMNAPOLBTDP1
SCHEMBL4645865 0.86 PTGDR2 (0.41) MAPTTHRBLMNAPOLBTDP1
SCHEMBL4641495 0.86 MAPT (0.39) MAPTTHRBLMNAPOLBTDP1
SCHEMBL4641465 0.85 KMT2A (0.41) MAPTTHRBLMNAPOLBTDP1
SCHEMBL4641475 0.83 MAPT (0.45) MAPTTHRBLMNAPOLBTDP1
SCHEMBL4643445 0.83 RAB9A (0.46) MAPTTHRBLMNAPOLBTDP1
SCHEMBL3743861 0.82 MCHR1 (0.45) MAPTPOLBKMT2ANPC1RAB9A

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