SCHEMBL3979394

SCHEMBL3979394

COc1cccc([C@@H](C)N)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
PNMT P11086 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
NFE2L2 Q16236 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2252742 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AATMCYP2D6
SCHEMBL4100987 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL3660925 0.98 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL3700107 0.98 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AATMCYP2D6
SCHEMBL683593 0.83 NFE2L2 (0.47) SMN1; SMN2MEN1KMT2AATMCYP1A2
SCHEMBL29471011 0.83 CA1 (0.55) MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL29705638 0.83 CA1 (0.55) MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL1257092 0.83 CA1 (0.55) MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL21377269 0.83 CA1 (0.55) MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL334556 0.83 CA1 (0.55) MEN1KMT2ACYP2D6CYP1A2CYP3A4

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-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO claimed