SCHEMBL4647290

SCHEMBL4647290

CCN1CCC(CN(C)c2nc3ccc(NC(=O)Oc4ccc(-c5ccc(F)cc5)cc4)cc3s2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 2/20 0.39
POLB P06746 2/20 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
CHRM3 P20309 1/20 0.38
TP53 P04637 5/20 0.38
KMT2A Q03164 2/20 0.37
FAAH O00519 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1B Q00975 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL4641189 0.92 CHRM3 (0.41) MAPTLMNATHRBPOLBTDP1
SCHEMBL4643018 0.89 MAPT (0.39) MAPTLMNATHRBPOLBTDP1
SCHEMBL5248978 0.89 POLB (0.46) MAPTLMNATHRBPOLBTP53
SCHEMBL4641495 0.84 MAPT (0.39) MAPTLMNATHRBPOLBTDP1
SCHEMBL4641475 0.81 MAPT (0.45) MAPTLMNATHRBPOLBTDP1
SCHEMBL4645865 0.81 PTGDR2 (0.41) MAPTLMNATHRBPOLBTDP1
SCHEMBL4643445 0.81 RAB9A (0.46) MAPTLMNATHRBPOLBTDP1
SCHEMBL4641230 0.81 PTGDR2 (0.42) MAPTLMNATHRBPOLBTDP1
SCHEMBL4641244 0.80 ALDH1A1 (0.45) MAPTLMNAPOLBTP53KMT2A
SCHEMBL13054237 0.80 POLB (0.48) MAPTLMNATHRBPOLBTP53

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