SCHEMBL1664440

SCHEMBL1664440

Cn1ccc(C(=O)Nc2ccc(Nc3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
NPC1 O15118 9/20 0.40
RAB9A P51151 9/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
TSHR P16473 1/20 0.40
PDE7A Q13946 2/20 0.40
EGFR P00533 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1665848 0.97 PDE7A (0.40) HPGDSNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1664442 0.95 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1665852 0.95 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL8772733 0.90 MCHR1 (0.42) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL13836604 0.90 MCHR1 (0.42) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1664163 0.87 SMN1; SMN2 (0.44) HPGDSNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1662766 0.87 RAB9A (0.51) HPGDSNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1664809 0.86 EGFR (0.42) HPGDSNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1665275 0.85 SLC2A1 (0.38) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1663623 0.85 RAB9A (0.46) HPGDSNPC1RAB9ASMN1; SMN2MAPT

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