SCHEMBL7499884

SCHEMBL7499884

Oc1ccccc1N1CCN(Cc2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.67
DRD2 P14416 11/20 0.64
HTR1A P08908 9/20 0.64
HTR7 P34969 1/20 0.54
FAAH O00519 1/20 0.53
DRD3 P35462 2/20 0.52
BACE1 P56817 1/20 0.51

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
SCHEMBL8138271 0.87 DRD4 (0.62) DRD4DRD2DRD3
SCHEMBL15937917 0.84 DRD2 (0.69) DRD4DRD2HTR1AHTR7DRD3
SCHEMBL7498385 0.84 DRD2 (0.64) DRD4DRD2HTR1AHTR7DRD3
SCHEMBL15937598 0.83 DRD4 (0.67) DRD4DRD2HTR1ADRD3
SCHEMBL15938505 0.83 DRD4 (0.70) DRD4DRD2HTR1AHTR7
SCHEMBL7505688 0.83 DRD4 (0.54) DRD4DRD2HTR1AFAAHBACE1
SCHEMBL7498001 0.82 DRD4 (0.53) DRD4DRD2HTR1AFAAHBACE1
SCHEMBL15938316 0.81 DRD4 (0.67) DRD4DRD2HTR1AHTR7
SCHEMBL7498974 0.81 DRD4 (0.72) DRD4DRD2HTR1AHTR7FAAH
SCHEMBL7991732 0.80 DRD4 (1.00) DRD4DRD2HTR1AHTR7DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931067-B1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-26 EP disclosed
US-6258813-B1 BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT (DE) 2001-07-10 US disclosed
EP-0931067-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 1999-07-28 EP disclosed
WO-1998011068-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1998-03-19 WO disclosed