SCHEMBL14129690

SCHEMBL14129690

C#Cc1ccc(C#Cc2ccc(N3CCOCCOCCN(Cc4ccccc4)CCOCCOCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 1/20 0.52
DRD4 P21917 4/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
LMNA P02545 1/20 0.46
AKR1C3 P42330 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 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
SCHEMBL14140402 0.93 HRH3 (0.54) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL14129564 0.89 MAPT (0.48) DRD4AKR1C3HRH3KDM4E
SCHEMBL6884731 0.88 HRH3 (0.46) AKR1C3HRH3
SCHEMBL5056216 0.84 HRH3 (0.48) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL14129697 0.84 NPC1 (0.50) DRD4LMNAAKR1C3HRH3KDM4E
SCHEMBL14140523 0.81 HRH3 (0.56) TMEM97SIGMAR1DRD4AKR1C3HRH3
SCHEMBL578590 0.81 HRH3 (0.65) LMNAHRH3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL23860313 0.79 HRH3 (0.62) LMNAHRH3ALDH1A1HPGD
SCHEMBL12494973 0.79 AKR1C3 (0.66) LMNAAKR1C3KDM4EALDH1A1HPGD
SCHEMBL948372 0.78 SIGMAR1 (0.68) SIGMAR1DRD4LMNAHRH3KDM4E

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