SCHEMBL7440734

SCHEMBL7440734

CN1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccc(Br)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.49
SLC7A5 Q01650 1/20 0.42
SLC6A4 P31645 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A9 P48067 1/20 0.38
CHKA P35790 1/20 0.37

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
SCHEMBL7428297 0.87 HTR1A (0.53) HTR1ASLC7A5SLC6A4HRH3SLC6A9
SCHEMBL7443700 0.87 HTR1A (0.63) HTR1ASLC6A4
SCHEMBL7431833 0.78 HTR1A (0.74) HTR1ASLC6A4HRH3KDM4ESLC6A9
SCHEMBL7442963 0.77 HTR1A (0.51) HTR1ASLC7A5SLC6A4HRH3KDM4E
SCHEMBL7427779 0.74 SLC7A5 (0.61) HTR1ASLC7A5SLC6A4HRH3
SCHEMBL7427735 0.72 HTR1A (0.67) HTR1ASLC7A5
SCHEMBL7434915 0.72 HTR1A (0.71) HTR1ASLC6A4HRH3KDM4E
SCHEMBL7434240 0.70 SLC6A4 (0.61) HTR1ASLC6A4HRH3
SCHEMBL29240977 0.70 HTR1A (0.39) HTR1AKDM4ETDP1
SCHEMBL29240972 0.70 HTR1A (0.39) HTR1AKDM4ETDP1

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
EP-0571685-A1 Aryloxyheteroarylpropylamines, their preparation and use NOVO NORDISK A/S (DK) 1993-12-01 EP disclosed