SCHEMBL5702986

SCHEMBL5702986

CC(=O)CCCc1ccc(N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
NFKB1 P19838 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALOX15 P16050 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MCL1 Q07820 1/20 0.55
HSD17B10 Q99714 1/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.46
CHKA P35790 2/20 0.46
LMNA P02545 2/20 0.45
GMNN O75496 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL7775748 0.93 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1NFKB1SMN1; SMN2
SCHEMBL8136098 0.89 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1NFKB1SMN1; SMN2
SCHEMBL472311 0.85 ALDH1A1 (0.61) ALDH1A1MAPTMAPK1NFKB1SMN1; SMN2
SCHEMBL9763063 0.81 HDAC1 (0.50) ALDH1A1MAPTMAPK1NFKB1SMN1; SMN2
SCHEMBL4593938 0.80 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1NFKB1SMN1; SMN2
SCHEMBL6310153 0.80 ALDH1A1 (0.64) ALDH1A1MAPTMAPK1NFKB1SMN1; SMN2
SCHEMBL105767 0.79 HSD17B10 (0.52) ALDH1A1MAPK1SMN1; SMN2ALOX15HSD17B10
SCHEMBL4541923 0.79 HSD17B10 (0.52) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL27352245 0.79 HSD17B10 (0.52) ALDH1A1MAPK1SMN1; SMN2HSD17B10HPGD
SCHEMBL28008810 0.79 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1NFKB1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687641-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS Acadia Pharmaceuticals Inc. (US) 2006-08-09 EP disclosed
WO-2005031000-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2005-04-07 WO disclosed