SCHEMBL1664779

SCHEMBL1664779

CN1CCN(c2ccc(Nc3ccc(Nc4ccc(NC(=O)c5cccn5C)cc4)cc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.61
NPC1 O15118 12/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 2/20 0.56
HPGDS O60760 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
EGFR P00533 1/20 0.52
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL1664782 0.95 NPC1 (0.66) RAB9ANPC1SMN1; SMN2TSHRKMT2A
SCHEMBL1665100 0.84 HPGDS (0.54) RAB9ANPC1SMN1; SMN2HPGDSKMT2A
SCHEMBL1663295 0.83 HPGDS (0.63) RAB9ANPC1SMN1; SMN2HPGDSKMT2A
SCHEMBL1665278 0.83 HPGDS (0.45) RAB9ANPC1SMN1; SMN2TSHRHPGDS
SCHEMBL1666278 0.82 HPGDS (0.60) RAB9ANPC1HPGDS
SCHEMBL1664351 0.82 HPGDS (0.62) RAB9ANPC1SMN1; SMN2HPGDSKMT2A
SCHEMBL1664885 0.82 HPGDS (0.47) RAB9ANPC1SMN1; SMN2TSHRHPGDS
SCHEMBL1664840 0.81 HPGDS (0.61) RAB9ANPC1HPGDSKMT2AMEN1
SCHEMBL1664300 0.81 MAPT (0.44) RAB9ANPC1TSHRHPGDSKMT2A
SCHEMBL1664361 0.81 HPGDS (0.58) RAB9ANPC1HPGDSKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed