SCHEMBL5528936

SCHEMBL5528936

O=C(NCC(=O)N1CCC[C@H]1C(=O)NCc1cc2ccccc2oc1=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.54
MAOB P27338 1/20 0.47
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
F2 P00734 1/20 0.43
ALDH1A1 P00352 3/20 0.43
FKBP1A P62942 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.43
ACE P12821 1/20 0.42
APP P05067 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 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
SCHEMBL2285648 0.82 PREP (0.48) PREPPOLBF2ALDH1A1CYP3A4
SCHEMBL5702805 0.82 PREP (0.48) PREPPOLBF2ALDH1A1CYP3A4
SCHEMBL12272394 0.79 PREP (0.66) PREPKMT2AALDH1A1FKBP1ACYP3A4
SCHEMBL2228388 0.77 PREP (0.71) PREPKMT2AALDH1A1FKBP1AACE
SCHEMBL11764594 0.77 PREP (0.71) PREPKMT2AALDH1A1FKBP1AACE
SCHEMBL28583418 0.77 PREP (0.65) PREPKMT2AALDH1A1FKBP1ACYP3A4
SCHEMBL3364774 0.77 PREP (0.49) PREPKMT2AALDH1A1FKBP1ACYP3A4
SCHEMBL380893 0.77 PREP (0.57) PREPKMT2AALDH1A1TSHRNPSR1
SCHEMBL2082597 0.76 PREP (0.69) PREPKMT2AALDH1A1FKBP1ACYP3A4
SCHEMBL22811046 0.76 PREP (0.61) PREPKMT2AALDH1A1FKBP1ACYP3A4

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
US-20070060550-A1 Methods of determining compounds useful in the treatment of bipolar disorder and methods of treating such disorders MUDGE ANNE P W 2007-03-15 US disclosed
WO-2006102521-A2 METHODS OF DETERMINING COMPOUNDS USEFUL IN THE TREATMENT OF BIPOLAR DISORDER AND METHODS OF TREATING SUCH DISORDERS DAVIS, JOHN M. (US) 2006-09-28 WO disclosed