SCHEMBL9174152

SCHEMBL9174152

Clc1cccc2c1CC2CN1CCN(c2cccc3c2CCOO3)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37

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
SCHEMBL9466380 1.00 HTR2C (0.37) HTR2CDRD2DRD4
SCHEMBL9177692 0.90 DRD2 (0.40) DRD2
SCHEMBL9180804 0.90 DRD2 (0.40) DRD2
SCHEMBL9179801 0.88 DRD4 (0.43) DRD2DRD4
SCHEMBL9466287 0.88 DRD4 (0.43) DRD2DRD4
SCHEMBL9466851 0.87 KDM4E (0.36) HTR2C
SCHEMBL9176524 0.87 KDM4E (0.36) HTR2C
SCHEMBL9465763 0.85 HTR2C (0.38) HTR2C
SCHEMBL9182178 0.85 HTR2C (0.38) HTR2C
SCHEMBL9466843 0.81 HTR7 (0.38) DRD2

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 2 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
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