SCHEMBL9735953

SCHEMBL9735953

CC1(C)COC(=O)C(c2ccccc2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
SLC6A2 P23975 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRND Q07001 1/20 0.37
USP2 O75604 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KDM1A O60341 4/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL15007138 0.70 CHRNB2 (0.33) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2598217 0.70 CHRNB2 (0.33) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL10795410 0.69 SLC6A2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL7358282 0.68 GAA (0.38) KMT2ACA2LMNAADORA3
SCHEMBL7358289 0.68 GAA (0.38) KMT2ACA2LMNAADORA3
SCHEMBL23123719 0.67 SLC6A2 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL9051041 0.66 SLC6A2 (0.44) SLC6A2SLC6A3KMT2AUSP2KDM1A
SCHEMBL10473935 0.66
SCHEMBL10332615 0.66 DDB1 (0.41) USP2CA2LMNAADORA3KDM1A
SCHEMBL7687072 0.64 ALDH1A1 (0.39) KMT2AUSP2LMNAADORA3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089614-A Polysubstituted 2-morpholones THE B. F. GOODRICH COMPANY (US) 1992-02-18 US disclosed
US-4914232-A FOR POLYMERS THE B. F. GOODRICH COMPANY (US) 1990-04-03 US disclosed
US-4528370-A Polysubstituted 2-morpholones NOVEON IP HOLDINGS CORP., FORMERLY KNOWN AS PMD HOLDINGS CORP. 1985-07-09 US disclosed