SCHEMBL845383

SCHEMBL845383

O=S(=O)(c1ccccc1)C(F)C(O)[C@H]1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.39
SLC6A4 P31645 19/20 0.39
SLC6A3 Q01959 18/20 0.39
HTR6 P50406 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3753704 0.72 LMNA (0.38)
SCHEMBL10153521 0.71 HTR6 (0.46) HTR6
SCHEMBL13058318 0.70 LMNA (0.36)
SCHEMBL15934892 0.69 CASP7 (0.31)
SCHEMBL22260060 0.68 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR6CYP2D6
SCHEMBL16144637 0.68 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6489756 0.68 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5839027 0.67 CHRM2 (0.37) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL6011701 0.65 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27269213 0.65 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed