SCHEMBL4643630

SCHEMBL4643630

CN1CCOC(CN(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5)cc4)ccc3o2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
TP53 P04637 6/20 0.41
MAPK1 P28482 1/20 0.40
THRB P10828 2/20 0.39
CYP11B2 P19099 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
ACKR3 P25106 1/20 0.37
AXL P30530 1/20 0.37
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CETP P11597 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1F P30939 1/20 0.35
FAAH O00519 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
SCHEMBL4643537 0.89 MAPT (0.42) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL5244396 0.88 MAPT (0.51) MAPTTP53MAPK1THRBSMN1; SMN2
SCHEMBL13054294 0.88 MAPT (0.51) MAPTTP53MAPK1THRBSMN1; SMN2
Hydrochloric Acid SCHEMBL5248239 0.88 MAPT (0.50) MAPTTP53MAPK1THRBSMN1; SMN2
SCHEMBL4643115 0.83 PTGDR2 (0.43) MAPTTP53MAPK1THRBSMN1; SMN2
SCHEMBL4641319 0.82 MAPT (0.42) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL4641261 0.82 KDM4E (0.44) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL4646624 0.81 MAPT (0.42) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL4641580 0.80 MAPT (0.48) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL5290458 0.77 MAPT (0.52) MAPTTP53THRBSMN1; SMN2KDM4E

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