SCHEMBL4644600

SCHEMBL4644600

CCN(CC)CCCN(C)c1nc2cc(NC(=O)Oc3ccc(-c4ccc(F)cc4)cc3)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
TP53 P04637 6/20 0.45
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
FAAH O00519 1/20 0.42
THRB P10828 4/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PARP3 Q9Y6F1 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
POLB P06746 2/20 0.40
CETP P11597 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APEX1 P27695 1/20 0.37
NSD2 O96028 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
SCHEMBL4641580 0.89 MAPT (0.48) MAPTTP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5248381 0.87 MAPT (0.58) MAPTTP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4641261 0.83 KDM4E (0.44) MAPTTP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4641319 0.82 MAPT (0.42) MAPTTP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4643568 0.81 MCHR1 (0.47) MAPTTP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4641303 0.80 TMPRSS15 (0.44) MAPTTP53SMN1; SMN2ALDH1A1FAAH
SCHEMBL4643537 0.78 MAPT (0.42) MAPTTP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4643630 0.77 MAPT (0.41) MAPTTP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4646624 0.76 MAPT (0.42) MAPTTP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4641350 0.75 MAPT (0.42) MAPTTP53KDM4ESMN1; SMN2ALDH1A1

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