SCHEMBL7688067

SCHEMBL7688067

O=C1c2cc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)ccc2CCN1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.46
DRD1 P21728 6/20 0.46
DRD2 P14416 4/20 0.46
DRD4 P21917 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
HTR1A P08908 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL7237279 0.94 DRD3 (0.49) DRD3DRD1DRD2DRD4SIGMAR1
SCHEMBL7229472 0.93 DRD3 (0.50) DRD3DRD1DRD2DRD4HTR1A
SCHEMBL7228845 0.91 DRD2 (0.47) DRD3DRD1DRD2DRD4SIGMAR1
SCHEMBL7238427 0.88 DRD3 (0.43) DRD3DRD1DRD2DRD4HTR1A
SCHEMBL7230735 0.85 DRD2 (0.53) DRD3DRD1DRD2DRD4HTR1A
SCHEMBL7238666 0.85 HTR1A (0.47) DRD3DRD1DRD2DRD4HTR1A
SCHEMBL7228815 0.85 GRM5 (0.46) DRD3DRD1DRD2DRD4HTR1A
SCHEMBL7228916 0.85 DRD3 (0.48) DRD3DRD1DRD2DRD4SIGMAR1
SCHEMBL7236689 0.85 DRD3 (0.43) DRD3DRD1DRD2DRD4SIGMAR1
SCHEMBL7231842 0.85 DRD3 (0.44) DRD3DRD1DRD2DRD4SIGMAR1

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-6417362-B1 PIPERAZINE DERIVATIVES; ARTERIOSCLEROSIS, PANCREATITIS, AND CARDIOVASCULAR DISORDER TREATMENT; SIDE EFFECT REDUCTION MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-09 US disclosed