SCHEMBL19062149

SCHEMBL19062149

CC(C)C(=O)NC1CCC(Oc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.52
FAAH O00519 2/20 0.52
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
KDM1A O60341 1/20 0.49
FASN P49327 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL14630693 0.83 EPHX2 (0.58) EPHX2FAAH
SCHEMBL14630694 0.83 EPHX2 (0.58) EPHX2FAAH
SCHEMBL16570412 0.80 EPHX2 (0.56) EPHX2FAAH
SCHEMBL14647010 0.77 KDM1A (0.62) EPHX2FAAHKDM1AKMT2A
SCHEMBL2647959 0.77 KDM1A (0.62) EPHX2FAAHKDM1AKMT2A
SCHEMBL22123932 0.77 MEN1 (0.61) MAPTKDM1AFASNLMNAMEN1
SCHEMBL15624842 0.77 EPHX2 (0.82) EPHX2FAAH
SCHEMBL103477 0.75
SCHEMBL18880078 0.75 SMYD3 (0.47) EPHX2KDM1AFASNKMT2A
SCHEMBL23067910 0.74 HRH1 (0.53) EPHX2FAAHKDM1A

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-3466953-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2019-04-10 EP disclosed
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed