SCHEMBL5187147

SCHEMBL5187147

FC(F)(F)c1cccc(N2CCN(CCCNc3nc4ccccc4s3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.65
DRD3 P35462 11/20 0.65
ADRA1A P35348 8/20 0.65
HRH4 Q9H3N8 1/20 0.57
SIGMAR1 Q99720 2/20 0.53
HTR7 P34969 3/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 1/20 0.53
HTR6 P50406 1/20 0.53
DRD5 P21918 1/20 0.52
DRD1 P21728 1/20 0.48

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
SCHEMBL5185969 0.86 DRD2 (0.59) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL21802149 0.84 DRD2 (0.60) DRD2DRD3ADRA1AHRH4HTR7
SCHEMBL7517458 0.84 DRD2 (0.52) DRD2DRD3ADRA1AHRH4SIGMAR1
Bromide SCHEMBL7527584 0.83 DRD2 (0.51) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL5185914 0.79 HTR1A (0.56) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL4928954 0.79 DRD2 (1.00) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL5188385 0.78 DRD2 (0.53) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL4925478 0.78 DRD2 (1.00) DRD2DRD3ADRA1AHRH4SIGMAR1
Hydrochloric Acid SCHEMBL4933186 0.77 DRD2 (0.98) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL7518692 0.77 SLC27A1 (0.48) DRD2DRD3SIGMAR1HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325917-B1 Radiolabelled alkylamino-benzothiazole and -benzoxazole derivatives and their use as D4 ligands JANSSEN PHARMACEUTICA NV (BE) 2007-01-03 EP disclosed
EP-0912533-B1 ALKYLAMINOBENZOTHIAZOLE AND -BENZOXAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2004-09-29 EP disclosed
EP-1325917-A1 Radiolabelled alkylamino-benzothiazole and -benzoxazole derivatives and their use as D4 ligands JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-09 EP disclosed
US-6224849-B1 Alkylaminobenzothiazole and-benzoxazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2001-05-01 US disclosed
US-6103725-A HIGH AFFINITY TO THE DOPAMINE D4 RECEPTOR; ANTAGONISTS; ANTIPSYCHOTIC AGENTS, E.G. SCHIZOPHRENIA, WITH REDUCED SIDE-EFFECTS; ANTIPSYCHOTIC AGENTS; ANXIOLYTIC AND ANTIEMETIC AGENTS; MOTORIC FUNCTIONS, ADDICTION, SLEEP, FEEDING JANSSEN PHARMACEUTICA, N.V. (BE) 2000-08-15 US disclosed
EP-0912533-A1 ALKYLAMINOBENZOTHIAZOLE AND -BENZOXAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-05-06 EP disclosed
WO-1997043271-A1 ALKYLAMINOBENZOTHIAZOLE AND -BENZOXAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-20 WO disclosed