SCHEMBL6589366

SCHEMBL6589366

NC(=O)C(Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.61
AKT1 P31749 4/20 0.39
OPRL1 P41146 4/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL6588614 0.84 HTR1A (0.66) HTR1AOPRL1MEN1KMT2ADRD4
SCHEMBL6586359 0.83 HTR1A (0.58) HTR1AAKT1DRD4DRD3
Fumaric Acid SCHEMBL6592709 0.82 HTR1A (0.58) HTR1AAKT1AKT2AKT3
SCHEMBL6590854 0.76 HTR1A (1.00) HTR1ADRD4DRD3
SCHEMBL27489107 0.76 HTR1A (1.00) HTR1ADRD4DRD3
SCHEMBL6587938 0.74 HTR1A (0.67) HTR1AAKT1DRD4DRD3
SCHEMBL8443576 0.73 ADRA1D (0.56) HTR1A
SCHEMBL6589346 0.73 HTR1A (0.58) HTR1AAKT1MEN1KMT2A
SCHEMBL6586642 0.73 HTR1A (0.55) HTR1AAKT1MEN1KMT2AAKT2
SCHEMBL6586745 0.72 HTR1A (0.48) HTR1AMEN1KMT2ADRD4DRD3

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-1161424-B1 NEW DIAZOLE DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2004-06-02 EP claimed