SCHEMBL14129697

SCHEMBL14129697

C#Cc1ccc(N2CCOCCOCCN(Cc3ccc(C)cc3)CCOCCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HRH3 Q9Y5N1 4/20 0.48
AKR1C3 P42330 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
KCNJ1 P48048 1/20 0.43

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
SCHEMBL5056216 0.87 HRH3 (0.48) HRH3AKR1C3SMN1; SMN2MAPTKDM4E
SCHEMBL14140523 0.85 HRH3 (0.56) NPC1RAB9AHRH3AKR1C3MAPT
SCHEMBL14129564 0.85 MAPT (0.48) HRH3AKR1C3MAPTKDM4EDRD2
SCHEMBL578590 0.85 HRH3 (0.65) HRH3SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL6884731 0.84 HRH3 (0.46) HRH3AKR1C3
SCHEMBL14140402 0.84 HRH3 (0.54) NPC1RAB9AHRH3AKR1C3SMN1; SMN2
SCHEMBL14129690 0.84 TMEM97 (0.52) HRH3AKR1C3KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL23860313 0.83 HRH3 (0.62) HRH3SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL14129567 0.83 NPC1 (0.46) NPC1GAARAB9AL3MBTL1HRH3
SCHEMBL14129768 0.83 HIF1A (0.56) NPC1GAARAB9AL3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393598-B2 Light emitting molecules and organic light emitting devices including light emitting molecules HCF PARTNERS, L.P. (US) 2008-07-01 US disclosed