SCHEMBL9646338

SCHEMBL9646338

O=c1oc2cccnc2n1CCN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD4 P21917 2/20 0.52
HTR1A P08908 6/20 0.48
DRD3 P35462 5/20 0.48
HTR7 P34969 4/20 0.47
DRD1 P21728 2/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL9646137 0.90 HTR1A (0.60) HTR1AHTR7
SCHEMBL9647583 0.89 KDM4E (0.58) HTR1AHTR7
SCHEMBL9644779 0.89 HTR1A (0.48) HTR1AHTR7
SCHEMBL9645728 0.86 ALDH1A1 (0.52) DRD2DRD4HTR1ADRD3HTR7
SCHEMBL9645787 0.85 HTR1A (0.50) HTR1AHTR7
SCHEMBL9644860 0.85 KDM4E (0.49) DRD4HTR1AHTR7
SCHEMBL9644844 0.84 TSHR (0.51) DRD2DRD4HTR1AHTR7
SCHEMBL9589251 0.83 KDM4E (0.52)
SCHEMBL9646526 0.83 NOTUM (0.44) DRD2HTR1AHTR7DRD1
SCHEMBL9646894 0.83 HTR1A (0.70) HTR1AHTR7

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-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US disclosed