SCHEMBL7733968

SCHEMBL7733968

FC(F)(F)Oc1ccccc1N1CCN(CCCl)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD3 P35462 3/20 0.48
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
HTR1A P08908 1/20 0.47
MAPK1 P28482 1/20 0.46
DRD4 P21917 1/20 0.44
CHRM4 P08173 1/20 0.43

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) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7733978 0.86 DRD2 (0.50) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL8828778 0.83 DRD2 (0.53) DRD2DRD3HTR1ADRD4
SCHEMBL2091611 0.83 DRD2 (0.52) DRD2DRD3HTR1ADRD4
SCHEMBL2097964 0.82 HTR1A (0.53) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2094204 0.81 HTR1A (0.52) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL1253155 0.81 DRD2 (0.75) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL24755285 0.80 DRD2 (0.65) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7605693 0.80 HTR1A (0.48) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL10546695 0.78 DRD2 (0.70) DRD2DRD3ADRA1DADRA1AADRA1B

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