SCHEMBL6681940

SCHEMBL6681940

CCN(C(N)=NC(=O)OC(C)(C)C)c1ccc(OC)c(CN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
KDM4E B2RXH2 2/20 0.32
QPCT Q16769 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6681092 0.91 ALDH1A1 (0.42) PKMALOX15HIF1AMTNR1AMTNR1B
SCHEMBL6678687 0.83 KDM4E (0.38) PKMALOX15HIF1AMTNR1AMTNR1B
SCHEMBL6688953 0.82 GLS (0.41)
SCHEMBL6679944 0.81 GRM2 (0.32) KDM4EMAPT
SCHEMBL6675985 0.81 GRM2 (0.31)
SCHEMBL6675986 0.81 GRM2 (0.32) KDM4EMAPT
SCHEMBL6684402 0.80 ADRA2A (0.31)
SCHEMBL6675633 0.80 GRM2 (0.35) KDM4EMAPT
SCHEMBL6678086 0.80 CYP3A4 (0.32) KDM4EMAPT
SCHEMBL6686115 0.78 RXRA (0.32)

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed