SCHEMBL7983159

SCHEMBL7983159

O=C(NCC1CCN(CCOc2ccc(F)cc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR6 P50406 2/20 0.42
KDM1A O60341 4/20 0.41
HDAC6 Q9UBN7 3/20 0.41
CACNA1G O43497 1/20 0.39
KCNA5 P22460 1/20 0.38

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 SCHEMBL7986997 0.99 HTR7 (0.42) HTR7HTR1ADRD2HTR6KDM1A
SCHEMBL7985386 0.96 HTR4 (0.42) HTR7HTR1ADRD2HTR6KDM1A
Hydrochloric Acid SCHEMBL7972092 0.95 HTR4 (0.42) HTR7HTR1ADRD2HTR6KDM1A
SCHEMBL7989146 0.93 HTR7 (0.49) HTR7DRD2KDM1AHDAC6
SCHEMBL7971992 0.92 HTR7 (0.49) HTR7HTR1ADRD2HTR6KDM1A
Hydrochloric Acid SCHEMBL7983742 0.92 HTR7 (0.49) HTR7DRD2KDM1AHDAC6
Hydrochloric Acid SCHEMBL7985853 0.91 HTR7 (0.48) HTR7HTR1ADRD2HTR6KDM1A
SCHEMBL7971626 0.90 HTR7 (0.44) HTR7HTR1ADRD2HTR6KDM1A
Hydrochloric Acid SCHEMBL7986100 0.89 HTR7 (0.44) HTR7HTR1ADRD2HTR6KDM1A
SCHEMBL7986053 0.89 HTR7 (0.45) HTR7KDM1A

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