SCHEMBL1664802

SCHEMBL1664802

Cn1cccc1C(=O)Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 12/20 0.55
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM1 Q13255 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 1/20 0.39
PDE7A Q13946 2/20 0.39
EGFR P00533 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL1664362 0.97 HPGDS (0.56) HPGDSMAPTNPC1POLBRAB9A
SCHEMBL1664366 0.95 HPGDS (0.54) HPGDSMAPTNPC1POLBRAB9A
SCHEMBL1664806 0.95 HPGDS (0.54) HPGDSMAPTNPC1POLBRAB9A
SCHEMBL6125839 0.92 HPGDS (0.50) HPGDSMAPTNPC1POLBRAB9A
SCHEMBL1666155 0.90 HPGDS (0.56) HPGDSGRM1ROCK2PDE7AEGFR
SCHEMBL6125840 0.89 HPGDS (0.48) HPGDSMAPTNPC1POLBRAB9A
SCHEMBL1665001 0.88 HPGDS (0.44) HPGDSMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1664868 0.87 HPGDS (0.57) HPGDSMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1663363 0.86 HPGDS (0.56) HPGDSRAB9AGRM1PDE7AEGFR
SCHEMBL1664832 0.86 PDE7A (0.41) HPGDSMAPTNPC1RAB9ASMN1; SMN2

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