SCHEMBL8770783

SCHEMBL8770783

[CH2]CCCCCN(C)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.45
MTNR1B P49286 12/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR7 P34969 2/20 0.39
LTA4H P09960 1/20 0.39
FDFT1 P37268 1/20 0.38

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
SCHEMBL5541703 0.81 SIGMAR1 (0.44) HTR7
SCHEMBL5541551 0.79 SIGMAR1 (0.41) HTR7
SCHEMBL5535156 0.79 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL5526550 0.75 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1HTR7FDFT1
SCHEMBL5535639 0.74 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL5536973 0.74 CA12 (0.41) HTR7
SCHEMBL9786534 0.73 LTA4H (0.55) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL5669695 0.72 BCHE (0.53) KDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL8770809 0.72 LSS (0.40)
SCHEMBL5536841 0.72 MTNR1A (0.58) MTNR1AMTNR1B

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-0797579-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-10-01 EP disclosed
WO-1996018633-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 1996-06-20 WO disclosed