SCHEMBL5223503

SCHEMBL5223503

NCCc1ccccc1COP(=O)(OCc1ccccc1CCN)OCc1ccccc1CCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.48
HTR2A P28223 3/20 0.46
HRH1 P35367 1/20 0.42
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
HTR1A P08908 1/20 0.38
HMGB1 P09429 1/20 0.36
MAOB P27338 2/20 0.36
CYP2A6 P11509 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
IDO1 P14902 2/20 0.34
MPO P05164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL8435974 0.78 TSHR (0.42) CYP3A4
SCHEMBL10336859 0.78 TSHR (0.39)
SCHEMBL9550964 0.76 IDO1 (0.55) TAAR1MAOBIDO1
SCHEMBL224549 0.76 TAAR1 (0.70) TAAR1HTR2AHRH1HTR1DHTR1B
SCHEMBL9550966 0.72 IDO1 (0.55) TAAR1SMN1; SMN2IDO1
SCHEMBL9550962 0.72 IDO1 (0.55) TAAR1MAOBSMN1; SMN2IDO1
SCHEMBL5775184 0.72 MAOB (0.45) TAAR1MAOBCYP2A13
SCHEMBL6860775 0.71 SRC (0.47) CYP3A4
SCHEMBL2907330 0.70 TAAR1 (0.60) TAAR1HTR2AHRH1HMGB1CYP2A6
SCHEMBL3051426 0.69 TAAR1 (0.61) TAAR1HTR2AHRH1HTR1DHTR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824468-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2007-08-29 EP disclosed
WO-2006054298-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2006-05-26 WO disclosed