SCHEMBL17815919

SCHEMBL17815919

CCC1CN(C(=O)CNC)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 1/20 0.43
▸ CHRNB2 P17787 4/20 0.37
▸ CHRNA3 P32297 4/20 0.37
▸ CHRNA4 P43681 4/20 0.37
▸ CHRNB3 Q05901 2/20 0.37
▸ CHRNA6 Q15825 2/20 0.37
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL24457513 0.85 DPP8 (0.41) ARG1MEN1KMT2AHRH2HRH1
SCHEMBL24098153 0.81 EPHX2 (0.40) MEN1KMT2AHRH2HRH1
SCHEMBL26173540 0.79 DPP4 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25738639 0.79 ARG1 (0.38) ARG1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19738913 0.79 KMT2A (0.39) ARG1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19703682 0.79 CHRNB2 (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24412190 0.78 ARG1 (0.38) ARG1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL22541779 0.78 ARG1 (0.40) ARG1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL17815832 0.77 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25036349 0.76 ARG1 (0.37) ARG1CHRNB2CHRNA3CHRNA4CHRNB3

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
WO-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 — — WO disclosed
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