SCHEMBL4643537

SCHEMBL4643537

CN1CCC(CN(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5)cc4)ccc3o2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
TP53 P04637 5/20 0.42
CHRM3 P20309 6/20 0.41
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CETP P11597 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 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
SCHEMBL4643630 0.89 MAPT (0.41) MAPTTP53SMN1; SMN2THRBKDM4E
SCHEMBL5290458 0.88 MAPT (0.52) MAPTTP53SMN1; SMN2THRBKDM4E
SCHEMBL4643045 0.87 CHRM3 (0.40) MAPTCHRM3SMN1; SMN2THRBKDM4E
SCHEMBL4643115 0.86 PTGDR2 (0.43) MAPTTP53SMN1; SMN2THRBKDM4E
SCHEMBL4646624 0.85 MAPT (0.42) MAPTTP53SMN1; SMN2THRBKDM4E
SCHEMBL4641261 0.83 KDM4E (0.44) MAPTTP53SMN1; SMN2THRBKDM4E
SCHEMBL4641319 0.82 MAPT (0.42) MAPTTP53SMN1; SMN2THRBKDM4E
SCHEMBL3748607 0.82 MCHR1 (0.49) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL4641580 0.82 MAPT (0.48) MAPTTP53SMN1; SMN2THRBKDM4E
SCHEMBL4641189 0.81 CHRM3 (0.41) MAPTTP53CHRM3HDAC3HDAC1

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