SCHEMBL6964168

SCHEMBL6964168

CN1C2CC(=O)CC1CN(CCc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
SLC6A3 Q01959 1/20 0.46
OPRM1 P35372 3/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
KCNH2 Q12809 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
GBA1 P04062 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CCR3 P51677 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL6959368 0.86 FUCA1 (0.47) ACHEOPRM1SIGMAR1ALDH1A1
SCHEMBL4296370 0.77 GAA (0.47) ACHESLC6A3OPRM1OPRD1OPRK1
SCHEMBL6312115 0.76 HRH3 (0.73) OPRM1OPRD1SIGMAR1HRH3
SCHEMBL8541761 0.76 HRH3 (0.73) OPRM1OPRD1SIGMAR1HRH3
SCHEMBL27811795 0.75 MAPK1 (0.57) HRH3
SCHEMBL22170540 0.74 ACHE (0.68) ACHESLC6A3SIGMAR1HRH3KCNH2
SCHEMBL6963845 0.74 MAPK1 (0.50) GBA1MEN1KMT2A
SCHEMBL7003079 0.74 SLC6A3 (0.61) ACHESLC6A3SIGMAR1HRH3KCNH2
SCHEMBL6964059 0.73 MAPK1 (0.46)
SCHEMBL7383188 0.73 SIGMAR1 (0.49) ACHESLC6A3SIGMAR1HRH3KCNH2

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-0550550-B1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 2003-07-16 EP disclosed
EP-0550550-A1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005174-A1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1992-04-02 WO disclosed