SCHEMBL6194004

SCHEMBL6194004

FC(F)(F)c1ccc2c(c1)CCC(CN1CCN(c3cccc4[nH]ccc34)CC1)N2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GOT1 P17174 3/20 0.47
▸ DRD2 P14416 2/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ GAA P10253 3/20 0.43
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ HTR1A P08908 6/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SRPK1 Q96SB4 1/20 0.36

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
SCHEMBL6194133 0.88 HTR1A (0.51) GOT1DRD2DRD4DRD3GAA
SCHEMBL6193666 0.86 GOT1 (0.49) GOT1DRD2DRD4DRD3GAA
SCHEMBL6613539 0.86 GAA (0.55) GOT1DRD2DRD4DRD3GAA
SCHEMBL6194475 0.85 DRD2 (0.54) GOT1DRD2DRD4DRD3GAA
SCHEMBL6195266 0.84 HTR1A (0.51) GOT1DRD2DRD4DRD3GAA
SCHEMBL6192926 0.83 HTR1A (0.51) GOT1DRD2DRD4DRD3GAA
SCHEMBL6195562 0.80 DRD2 (0.49) GOT1DRD2DRD4DRD3GAA
SCHEMBL6198181 0.79 DRD2 (0.43) GOT1DRD2DRD4DRD3GAA
SCHEMBL6756331 0.78 HRH3 (0.40) GAAMAPTMEN1KMT2A
SCHEMBL6756330 0.78 HRH3 (0.40) GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 — — EP disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 — — EP disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 — — WO disclosed
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