SCHEMBL4757679

SCHEMBL4757679

O=S(=O)(c1cnc2ccc(N3CCNCC3)cc2c1)N1Cc2ccc(F)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.56
PDK2 Q15119 1/20 0.47
HDAC3 O15379 4/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
USP9X Q93008 4/20 0.40
DRD3 P35462 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL4702293 0.81 CHRNB2 (0.50) HTR6CHRNB2CHRNA4RXFP1
SCHEMBL9902743 0.80 HTR6 (0.50) HTR6HDAC3IDO1TDO2IDO2
SCHEMBL4702216 0.80 HTR6 (0.59) HTR6USP9XDRD3
SCHEMBL4703630 0.79 ALDH1A1 (0.47) HTR6CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL4698200 0.79 HTR6 (0.58) HTR6USP9XDRD3
SCHEMBL3136898 0.78 HTR6 (0.60) HTR6SIGMAR1DRD3
SCHEMBL4690981 0.73 HTR6 (0.61) HTR6CHRNB2CHRNA4SIGMAR1DRD3
SCHEMBL4702240 0.73 HTR6 (0.61) HTR6CHRNB2CHRNA4DRD3HRH3
SCHEMBL9903085 0.72 HTR6 (0.57) HTR6CHRNB2CHRNA4
SCHEMBL9903853 0.70 HTR6 (0.60) HTR6IDO1TDO2IDO2RXFP1

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-1660483-B1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-12-24 EP claimed