SCHEMBL20756331

SCHEMBL20756331

CC(C)C1CN(C(N)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNB3 Q05901 2/20 0.38
CHRNA6 Q15825 2/20 0.38
ALOX5 P09917 1/20 0.34
CHRNB4 P30926 1/20 0.31
EPHX1 P07099 1/20 0.31
PIK3CD O00329 1/20 0.31
CPN1 P15169 1/20 0.30
CPB2 Q96IY4 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL26151483 0.84 EPHX1 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8954166 0.83 DPP4 (0.39) ALOX5CPN1CPB2
SCHEMBL7906643 0.78 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1109055 0.77 CPN1 (0.40) ALOX5CPN1CPB2
SCHEMBL19888898 0.76 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21367594 0.76 F2 (0.37) CPN1CPB2
SCHEMBL10119951 0.76 CHRNB2 (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22647411 0.76 DPP4 (0.32) CPN1CPB2
SCHEMBL14147674 0.76 CPN1 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20026859 0.76 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed