SCHEMBL9806563

SCHEMBL9806563

CCCCCCCC/C=C\CCCCCCCCN1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.41
FAAH O00519 4/20 0.40
TRPV1 Q8NER1 1/20 0.40
CNR1 P21554 1/20 0.40
GNAI3 P08754 3/20 0.40
GNAO1 P09471 3/20 0.40
GNAI1 P63096 3/20 0.40
MAPK1 P28482 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
SCN1A P35498 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL9806579 1.00 MGLL (0.41) MGLLFAAHTRPV1CNR1GNAI3
SCHEMBL31003962 0.90 MAPK1 (0.49) MGLLFAAHTRPV1CNR1GNAI3
SCHEMBL11504584 0.89 GNAI3 (0.47) GNAI3GNAO1GNAI1MAPK1SIGMAR1
SCHEMBL11504373 0.89 GNAI3 (0.47) GNAI3GNAO1GNAI1MAPK1SIGMAR1
SCHEMBL9549214 0.89 GNAI3 (0.47) GNAI3GNAO1GNAI1MAPK1SIGMAR1
SCHEMBL462209 0.88 MAPK1 (0.47) GNAI3GNAO1GNAI1MAPK1SIGMAR1
SCHEMBL3130672 0.82
SCHEMBL15212251 0.80 GNAI3 (0.59) MGLLFAAHTRPV1GNAI3GNAO1
SCHEMBL11503848 0.80 SMN1; SMN2 (0.50) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2
SCHEMBL11504301 0.80 SMN1; SMN2 (0.50) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2

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-0212742-B1 MANUFACTURE OF OXAZOLIDINES BY THE ALKOXYLATION OF IMINES AKZO N.V. (NL) 1991-04-17 EP disclosed
US-4677208-A Manufacture of oxazolidines by the alkoxylation of imines AKZONA INCORPORATED (US) 1987-06-30 US disclosed
EP-0212742-A1 Manufacture of oxazolidines by the alkoxylation of imines AKZO N.V. (NL) 1987-03-04 EP disclosed