SCHEMBL1664696

SCHEMBL1664696

CN(C)C1CCN(c2ccc(Nc3ccc(-n4ncc5cc(NC(=O)c6cccs6)ccc54)cc3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.52
MAPT P10636 7/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
BTK Q06187 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1664078 0.95 MAPT (0.49) MCHR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1664703 0.94 MCHR1 (0.61) MCHR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1664084 0.89 MCHR1 (0.54) MCHR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1666916 0.87 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1664235 0.86 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1665038 0.85 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1666799 0.84 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1664587 0.83 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1664395 0.83 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1666114 0.82 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed