SCHEMBL31098242

SCHEMBL31098242

O=c1nc(CN2CCN(C3=Nc4cc(F)ccc4Oc4ccc(C(F)(F)F)cc43)CC2)[nH][nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.47
▸ HRH4 Q9H3N8 2/20 0.43
▸ HTR2A P28223 8/20 0.41
▸ HRH1 P35367 6/20 0.39
▸ DRD4 P21917 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR1A P08908 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ HTR6 P50406 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
SCHEMBL31098219 0.90 DRD4 (0.48) HTR2CHRH4HTR2AHRH1DRD4
SCHEMBL31098232 0.88 HRH4 (0.56) HTR2CHRH4HTR2AHRH1DRD4
SCHEMBL31098233 0.87 DRD4 (0.45) HTR2CHRH4HTR2AHRH1DRD4
SCHEMBL31098241 0.80 HTR2C (0.52) HTR2CHRH4HTR2AHRH1
SCHEMBL31098211 0.78 HTR2C (0.53) HTR2CHRH4HTR2AHRH1DRD4
SCHEMBL31098240 0.78 HRH4 (0.69) HTR2CHRH4HTR2AHRH1DRD4
SCHEMBL31098243 0.76 DRD2 (0.60) HTR2CHRH4HTR2AHRH1DRD4
SCHEMBL3837735 0.70 HRH4 (0.61) HTR2CHRH4HTR2AHRH1DRD4
SCHEMBL4173790 0.69 HRH4 (0.54) HTR2CHRH4HTR2AHRH1DRD4
SCHEMBL3840090 0.69 HRH4 (0.52) HTR2CHRH4HTR2AHRH1DRD4

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-4428132-A1 SLACK-ACTIVATING COMPOUNDS AND THEIR MEDICAL USE Johann-Wolfgang-Goethe-Universität Frankfurt am Main (DE) 2024-09-11 — — EP disclosed
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