SCHEMBL7586281

SCHEMBL7586281

CN1CCN(c2ccccc2-c2ccc(OC(=O)NCc3ccccc3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.45
DRD2 P14416 13/20 0.45
HTR7 P34969 7/20 0.45
DRD1 P21728 2/20 0.42
HTR2A P28223 1/20 0.42
HTR6 P50406 6/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL7591765 0.92 NPC1 (0.48) HTR1ADRD2HTR7MEN1MAPK1
SCHEMBL7591802 0.92 HTR1A (0.46) HTR1ADRD2HTR7HTR6MEN1
SCHEMBL7591807 0.91 HTR1A (0.49) HTR1ADRD2HTR7HTR6MEN1
SCHEMBL7160985 0.83 ESRRG (0.52) HTR1ADRD2HTR7HSD17B10SIRT6
SCHEMBL7587006 0.82 NPBWR1 (0.46) DRD2DRD1MEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL7154175 0.81 ESRRG (0.50) HTR1ADRD2HTR7MEN1KMT2A
SCHEMBL7583215 0.79 NPC1 (0.41) HTR1ADRD2HTR7HTR6MEN1
SCHEMBL7585905 0.78 NPSR1 (0.48) HTR1ADRD2HTR7DRD1HTR2A
SCHEMBL7582824 0.77 NPC1 (0.45) HTR1ADRD2HTR7DRD1MEN1
SCHEMBL7162765 0.76 HTR1A (0.50) HTR1ADRD2HTR7HTR6MEN1

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-0957099-B1 Heterocyclic carboxamides PFIZER PROD INC (US) 2002-11-20 EP claimed