SCHEMBL9646262

SCHEMBL9646262

O=c1oc2cc(Br)cnc2n1CCN1CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.54
HTR7 P34969 6/20 0.53
ADORA2A P29274 1/20 0.44

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 0.83 HTR1A (0.60) HTR1AHTR7
SCHEMBL9646027 0.76 HTR1A (0.55) HTR1AHTR7ADORA2A
SCHEMBL9646894 0.76 HTR1A (0.70) HTR1AHTR7
SCHEMBL8918838 0.76 DRD4 (0.51) HTR1AHTR7
SCHEMBL8918424 0.75 HTR1A (0.51) HTR1AHTR7
SCHEMBL7316292 0.74 NPC1 (0.63)
SCHEMBL9645787 0.74 HTR1A (0.50) HTR1AHTR7ADORA2A
SCHEMBL9215528 0.74 HTR7 (0.59) HTR1AHTR7
SCHEMBL8918497 0.73 DRD4 (0.53) HTR1AHTR7
SCHEMBL9646338 0.73 DRD2 (0.52) 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