SCHEMBL7971992

SCHEMBL7971992

O=C(NCC1CCN(CCOc2cccc(F)c2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.49
HTR1A P08908 7/20 0.49
DRD2 P14416 7/20 0.49
HTR6 P50406 6/20 0.49
KDM1A O60341 2/20 0.40
GSK3B P49841 3/20 0.38
KCNH2 Q12809 2/20 0.37
LYN P07948 1/20 0.37
GRK2 P25098 1/20 0.37
CLK1 P49759 1/20 0.37
GSK3A P49840 1/20 0.37
MAPK7 Q13164 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
HTR4 Q13639 1/20 0.37
AVPR1B P47901 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 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
Hydrochloric Acid SCHEMBL7985853 0.99 HTR7 (0.48) HTR7HTR1ADRD2HTR6KDM1A
SCHEMBL7982288 0.96 HTR7 (0.44) HTR7HTR1ADRD2HTR6KDM1A
Hydrochloric Acid SCHEMBL7985643 0.95 HTR7 (0.44) HTR7HTR1ADRD2HTR6KDM1A
SCHEMBL7983159 0.92 HTR7 (0.43) HTR7HTR1ADRD2HTR6KDM1A
Hydrochloric Acid SCHEMBL7986997 0.91 HTR7 (0.42) HTR7HTR1ADRD2HTR6KDM1A
SCHEMBL7989146 0.91 HTR7 (0.49) HTR7DRD2KDM1AHTR4HDAC6
Hydrochloric Acid SCHEMBL7983742 0.90 HTR7 (0.49) HTR7DRD2KDM1AHTR4HDAC6
SCHEMBL7985386 0.88 HTR4 (0.42) HTR7HTR1ADRD2HTR6KDM1A
Hydrochloric Acid SCHEMBL7972092 0.88 HTR4 (0.42) HTR7HTR1ADRD2HTR6KDM1A
SCHEMBL7982506 0.87 HTR7 (0.41) HTR7GSK3BHTR4HTR2A

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed