SCHEMBL9183283

SCHEMBL9183283

O=C(CCC1Cc2ccccc21)N1CCN(c2cccc3c2OCCO3)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.56
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
PMP22 Q01453 1/20 0.52

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
SCHEMBL9467135 0.91 HTR1A (0.51) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL9183299 0.86 HTR1A (0.58) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL9467285 0.85 HTR1A (0.41) HTR1A
SCHEMBL9467283 0.85 HTR1A (0.41) HTR1A
SCHEMBL9466855 0.85 HTR1A (0.45) HTR1A
SCHEMBL9181634 0.85 HTR1A (0.53) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL9466374 0.83 HTR1A (0.51) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL1037297 0.82
SCHEMBL9183269 0.81 POLB (0.39) LMNA
SCHEMBL9176472 0.80

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