SCHEMBL7732071

SCHEMBL7732071

NC(CN1CCN(c2cccc3[nH]ccc23)CC1)c1ccccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
DRD4 P21917 2/20 0.50
GAA P10253 5/20 0.47
MAPT P10636 3/20 0.47
GOT1 P17174 5/20 0.46
ADRB1 P08588 1/20 0.43
HTR6 P50406 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
HTR1A P08908 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ADRA1A P35348 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7607154 0.88 DRD2 (0.54) DRD2DRD3DRD4GAAMAPT
SCHEMBL7605695 0.84 CACNA1G (0.42) DRD2DRD3DRD4MAPTKMT2A
SCHEMBL6935596 0.80 CACNA1G (0.51) DRD2DRD3MAPTKMT2AHTR1A
SCHEMBL7554379 0.79 DRD2 (0.67) DRD2DRD3DRD4GAAMAPT
SCHEMBL6931647 0.77 GAA (0.55) DRD2DRD3DRD4GAAMAPT
SCHEMBL7613963 0.77 DRD3 (0.50) DRD2DRD3DRD4GAAMAPT
SCHEMBL6194887 0.75 GOT1 (0.44) DRD2DRD3DRD4GAAMAPT
SCHEMBL6772142 0.71 MAPT (0.59) DRD2DRD3MAPTADRB1MEN1
SCHEMBL6930796 0.70 DRD2 (0.59) DRD2DRD3DRD4MAPTADRB1
SCHEMBL6778522 0.69 MAPT (0.65) DRD2DRD3DRD4GAAMAPT

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
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 claimed
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