SCHEMBL5188385

SCHEMBL5188385

Clc1ccc(N2CCN(CCCCCNc3nc4ccccc4s3)CC2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.53
HTR2A P28223 14/20 0.53
HTR7 P34969 12/20 0.53
HTR1A P08908 11/20 0.53
SLC6A4 P31645 10/20 0.53
DRD3 P35462 9/20 0.53
HTR2C P28335 6/20 0.53
DRD1 P21728 2/20 0.53
HRH1 P35367 5/20 0.50
SLC6A3 Q01959 1/20 0.49
HTR6 P50406 4/20 0.47
ADRA1A P35348 1/20 0.45

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
Fumaric Acid SCHEMBL5198984 0.92 SLC6A4 (0.51) DRD2HTR2AHTR7HTR1ASLC6A4
SCHEMBL5185901 0.92 DRD2 (0.50) DRD2HTR2AHTR7HTR1ASLC6A4
SCHEMBL5187755 0.87 DRD2 (0.49) DRD2HTR2AHTR7HTR1ASLC6A4
SCHEMBL5185969 0.82 DRD2 (0.59) DRD2HTR2AHTR7HTR1ASLC6A4
SCHEMBL5185988 0.81 DRD2 (0.56) DRD2HTR2AHTR7HTR1ASLC6A4
Hydrochloric Acid SCHEMBL5188377 0.81 DRD2 (0.61) DRD2HTR2AHTR7HTR1ASLC6A4
SCHEMBL5185915 0.80 SLC6A4 (0.64) DRD2HTR2AHTR7HTR1ASLC6A4
SCHEMBL491920 0.80 SMN1; SMN2 (0.60)
Hydrochloric Acid SCHEMBL7522315 0.79 SLC6A4 (0.63) DRD2HTR2AHTR7HTR1ASLC6A4
SCHEMBL7528236 0.79 DRD2 (0.67) DRD2HTR2AHTR7HTR1ADRD3

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