SCHEMBL14626403

SCHEMBL14626403

O=S(=O)(c1ccccc1)N1CCc2cccc(N3CCNCC3)c2C1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.82
DRD3 P35462 7/20 0.82
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD2 P14416 3/20 0.57
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL5204332 0.90 HTR6 (0.82) HTR6DRD3MEN1KMT2ADRD2
SCHEMBL14591390 0.84 HTR6 (0.60) HTR6DRD3DRD2
Trifluoroacetic Acid SCHEMBL5205906 0.82 HTR6 (0.69) HTR6DRD3MEN1KMT2ADRD2
SCHEMBL14591386 0.81 HTR6 (0.58) HTR6DRD3DRD2
Tert-Butyl Formate SCHEMBL27641071 0.80 HTR6 (0.66) HTR6DRD3MEN1KMT2ADRD2
SCHEMBL5200670 0.80 HTR6 (0.66) HTR6DRD3MEN1KMT2ADRD2
SCHEMBL5202880 0.78 HTR6 (0.67) HTR6DRD3MEN1KMT2AAKR1C3
SCHEMBL5201593 0.78 HTR6 (0.64) HTR6DRD3MEN1KMT2AAKR1C3
SCHEMBL5201623 0.78 HTR6 (0.64) HTR6DRD3MEN1KMT2ADRD2
SCHEMBL5204254 0.78 HTR6 (0.62) HTR6DRD3MEN1KMT2A

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
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed