SCHEMBL7733978

SCHEMBL7733978

OCCN1CCN(c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.50
DRD3 P35462 3/20 0.50
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR1A P08908 3/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
EPHX2 P34913 1/20 0.47
DRD4 P21917 1/20 0.46

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
SCHEMBL2088381 0.86 DRD2 (0.50) DRD2DRD3MAPTHTR1AADRA1D
SCHEMBL7733968 0.86 DRD2 (0.50) DRD2DRD3MAPK1HTR1AADRA1D
SCHEMBL2091611 0.83 DRD2 (0.52) DRD2DRD3MAPTHTR1ADRD4
SCHEMBL8828778 0.83 DRD2 (0.53) DRD2DRD3MAPTHTR1ADRD4
SCHEMBL2097964 0.82 HTR1A (0.53) DRD2DRD3MAPTHTR1AADRA1D
SCHEMBL2094204 0.81 HTR1A (0.52) DRD2DRD3MAPTHTR1AADRA1D
SCHEMBL1193073 0.81 DRD2 (0.75) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL24755285 0.80 DRD2 (0.65) DRD2DRD3MAPK1MAPTHTR1A
SCHEMBL7605693 0.80 HTR1A (0.48) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL9293656 0.78 DRD2 (0.66) DRD2DRD3HTR1AADRA1DADRA1A

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-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 US disclosed