SCHEMBL9175441

SCHEMBL9175441

c1ccc(CC2(CCN3CCN(c4cccc5ccoc45)CC3)CCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57

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
SCHEMBL9466376 0.95 HTR1A (0.56) HTR1ADRD2
SCHEMBL9181481 0.83 HTR1A (0.48) HTR1ADRD2
SCHEMBL10516639 0.81 HTR1A (0.68) HTR1ADRD2
SCHEMBL13533025 0.78 HTR1A (0.83) HTR1ADRD2
SCHEMBL10514665 0.75
SCHEMBL10524008 0.74
SCHEMBL10515450 0.74
SCHEMBL13533028 0.73 HTR1A (1.00) HTR1ADRD2
SCHEMBL10513645 0.72
SCHEMBL10514687 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490772-B1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP disclosed
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed
EP-0490772-A1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-06-17 EP disclosed