SCHEMBL11234384

SCHEMBL11234384

N#Cc1ccccc1OCCCN1CCC(CO)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.71
KMT2A Q03164 5/20 0.71
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
ACHE P22303 1/20 0.48
DRD4 P21917 1/20 0.47
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 5/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
MAPK1 P28482 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
SCHEMBL11249855 0.85 MEN1 (0.68) MEN1KMT2AHTR1AHTR7DRD4
SCHEMBL11162539 0.85 MEN1 (0.64) MEN1KMT2AHTR1AHTR7HRH3
SCHEMBL11246278 0.82 MEN1 (0.70) MEN1KMT2ADRD4ALDH1A1HTT
SCHEMBL3583983 0.81 CYP2D6 (0.60) MEN1KMT2AHTR7HRH3DRD4
SCHEMBL8796387 0.79 KDM4E (0.64) MEN1KMT2AHTR1AHTR7HRH3
SCHEMBL29531493 0.79 KDM4E (0.64) MEN1KMT2AHTR1AHTR7HRH3
SCHEMBL11248180 0.78 MEN1 (0.62) MEN1KMT2AHTR1AHTR7ALDH1A1
SCHEMBL11168057 0.78 MEN1 (0.64) MEN1KMT2AHTR1AHTR7DRD4
SCHEMBL14100151 0.77 TMEM97 (0.72) HTR1AHRH3ACHELTA4HALDH1A1
SCHEMBL10461660 0.77 MEN1 (0.55) MEN1KMT2AHTR1AHTR7ALDH1A1

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-4348401-A ANTIHISTAMINIC, ANTIEDEMIC, ANTIPHLOGISTIC BOEHRINGER MANNHEIM GMBH (DE) 1982-09-07 US disclosed