SCHEMBL9506159

SCHEMBL9506159

CC1COC(C)(Cc2ccc(Cl)cc2)C(C)N1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.38
CHRNG P07510 2/20 0.38
CHRNB1 P11230 2/20 0.38
CHRNB2 P17787 2/20 0.38
SLC6A2 P23975 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRND Q07001 2/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HMOX1 P09601 2/20 0.32
CHRNA7 P36544 1/20 0.32
CHIA Q9BZP6 2/20 0.32

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
SCHEMBL9506152 0.70 P2RX7 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9735567 0.66 SSTR1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL15922043 0.62 SLC6A2 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7213677 0.61 GRM2 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL28044887 0.61 IDO1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13503880 0.60 LSS (0.43) SLC6A2SLC6A3SLC6A4MEN1LMNA
SCHEMBL28527487 0.60 TRPA1 (0.39) SLC6A3SLC6A4MEN1LMNAKMT2A
SCHEMBL20224876 0.60 DRD2 (0.46) SLC6A2SLC6A3SLC6A4MEN1LMNA
SCHEMBL8938784 0.59 LMNA (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10764891 0.59 MDM2 (0.36) MEN1LMNAHTTKMT2ASMN1; SMN2

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
EP-0413302-B1 1,3-OXAZINES Dr. Karl Thomae GmbH (DE) 1993-08-04 EP disclosed
US-5114935-A Antitussive agents DR. KARL THOMAE GMBH (DE) 1992-05-19 US disclosed
EP-0413302-A1 1,3-Oxazines Dr. Karl Thomae GmbH (DE) 1991-02-20 EP disclosed