SCHEMBL9903601

SCHEMBL9903601

O=S(=O)(c1cnc2ccc(N3CCNCC3)cc2c1)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.47
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
HTR2B P41595 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
BRD4 O60885 1/20 0.42
MTOR P42345 1/20 0.41
EGFR P00533 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL9903178 0.88 HTR3A (0.47) HTR6HTR7HTR2BDRD2HTR2A
SCHEMBL9903634 0.85 HTR6 (0.50) HTR6HTR1AHTR7HTR2BCHRNB2
SCHEMBL4690981 0.83 HTR6 (0.61) HTR6HTR1AHTR7HTR2BCHRNB2
SCHEMBL9903675 0.82 HTR6 (0.47) HTR6HTR1AHTR7HTR2BCHRNB2
SCHEMBL5067372 0.80 HTR6 (0.70) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL9902743 0.79 HTR6 (0.50) HTR6HTR1AHTR7CHRNB2CHRNA4
SCHEMBL3136898 0.78 HTR6 (0.60) HTR6HTR1AHTR7HTR2BDRD2
SCHEMBL9903085 0.77 HTR6 (0.57) HTR6HTR1AHTR7HTR2BCHRNB2
SCHEMBL9903412 0.74 HTR6 (0.60) HTR6HTR7HTR2BDRD2HTR2A
SCHEMBL9903925 0.74 HTR6 (0.43) HTR6HTR1AHTR7DRD2HTR2A

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
EP-1956004-B1 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2012-06-13 EP claimed