SCHEMBL9466376

SCHEMBL9466376

c1ccc(CC2(CCCN3CCN(c4cccc5ccoc45)CC3)CCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56

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
SCHEMBL9175441 0.95 HTR1A (0.57) HTR1ADRD2
SCHEMBL9181481 0.82 HTR1A (0.48) HTR1ADRD2
SCHEMBL10516639 0.80 HTR1A (0.68) HTR1ADRD2
SCHEMBL8520072 0.77 HTR1A (0.48) HTR1ADRD2
SCHEMBL13533025 0.77 HTR1A (0.83) HTR1ADRD2
SCHEMBL10513645 0.76
SCHEMBL10514665 0.74
SCHEMBL10524008 0.73
SCHEMBL10515450 0.73
SCHEMBL13533028 0.72 HTR1A (1.00) HTR1ADRD2

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-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed