SCHEMBL11206337

SCHEMBL11206337

C=CCN(CCO)CC(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
AOC3 Q16853 5/20 0.44
CYP2C19 P33261 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.38
RIPK1 Q13546 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 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
SCHEMBL6398255 0.89 AOC3 (0.50) KDM4EAOC3CYP2C19TSHRALDH1A1
SCHEMBL3273377 0.85 AOC3 (0.46) KDM4EAOC3CYP2C19TSHRALDH1A1
SCHEMBL9641990 0.85 KDM4E (0.54) KDM4EAOC3TSHRALDH1A1RET
SCHEMBL19723310 0.83 AOC3 (0.49) KDM4EAOC3CYP2C19TSHRALDH1A1
SCHEMBL9748515 0.79 RIPK1 (0.47) KDM4EAOC3CYP2C19TSHRALDH1A1
SCHEMBL8557986 0.78 ALDH1A1 (0.52) KDM4EAOC3TSHRALDH1A1RET
SCHEMBL13699528 0.78 ALDH1A1 (0.52) KDM4EAOC3TSHRALDH1A1RET
SCHEMBL7437735 0.76 OPRK1 (0.44) AOC3KMT2AMEN1TAAR1OPRM1
Hydrochloric Acid SCHEMBL3273754 0.76 ALDH1A1 (0.54) KDM4EAOC3TSHRALDH1A1RET
SCHEMBL10672887 0.76 AOC3 (0.62) KDM4EAOC3CYP2C19TSHRALDH1A1

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
EP-0080940-A2 Derivatives of 2-phenyl-morpholine and medical compositions LABORATOIRE L. LAFON Société anonyme dite: (FR) 1983-06-08 EP disclosed