SCHEMBL1664934

SCHEMBL1664934

O=C(Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
CFTR P13569 6/20 0.49
GFER P55789 1/20 0.49
NPC1 O15118 4/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR2C P28335 2/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44

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
SCHEMBL1664936 0.96 HRH3 (0.52) HRH3ALDH1A1MAPTCFTRGFER
SCHEMBL1664323 0.95 HRH3 (0.51) HRH3ALDH1A1MAPTCFTRGFER
SCHEMBL8770073 0.90 HRH3 (0.52) HRH3ALDH1A1MAPTCFTRGFER
SCHEMBL1664061 0.82 DHPS (0.50) ALDH1A1MAPTGFERNPC1MEN1
SCHEMBL1664249 0.80 NPC1 (0.46) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL1667499 0.79 RAB9A (0.49) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL2972738 0.79 CFTR (0.69) HRH3ALDH1A1MAPTCFTRNPC1
SCHEMBL2974366 0.78 CFTR (0.67) HRH3ALDH1A1MAPTCFTRNPC1
SCHEMBL8769706 0.77 RAB9A (0.58) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL397852 0.77 CFTR (0.66) ALDH1A1MAPTCFTRMEN1KMT2A

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