SCHEMBL6724792

SCHEMBL6724792

CN1CCN(CCOc2ccc3[nH]cc(C(=O)Nc4ccccn4)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.49
HTR1F P30939 10/20 0.49
HTR1D P28221 8/20 0.49
HTR1B P28222 7/20 0.49
MET P08581 1/20 0.41
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
DRD3 P35462 2/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
FGFR3 P22607 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 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
SCHEMBL6726991 0.96 HTR1A (0.48) HTR1AHTR1FHTR1DHTR1BMET
SCHEMBL6724701 0.93 MET (0.48) HTR1AHTR1FHTR1DHTR1BMET
SCHEMBL6726989 0.90 TEC (0.44) HTR1AHTR1FHTR1DHTR1BMET
SCHEMBL6734018 0.88 MET (0.51) HTR1AHTR1FHTR1DHTR1BMET
SCHEMBL6724794 0.88 MET (0.53) HTR1AHTR1FHTR1DHTR1BMET
SCHEMBL6733766 0.86 MET (0.46) HTR1AHTR1FHTR1DHTR1BMET
SCHEMBL6724813 0.84 HTR1A (0.55) HTR1AHTR1FHTR1DHTR1BPIM1
SCHEMBL6722238 0.83 HTR1A (0.47) HTR1AHTR1FHTR1DHTR1BMET
SCHEMBL6722076 0.83 MEN1 (0.42) HTR1AHTR1FHTR1DHTR1BMET
SCHEMBL6722139 0.83 RXFP1 (0.54) HTR1AHTR1FHTR1DHTR1BRXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US disclosed