SCHEMBL6678086

SCHEMBL6678086

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
GRM2 Q14416 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6679944 0.92 GRM2 (0.32) GRM2KDM4ENPC1MAPTRAB9A
SCHEMBL6675986 0.91 GRM2 (0.32) GRM2KDM4ENPC1MAPTRAB9A
SCHEMBL6675633 0.90 GRM2 (0.35) GRM2KDM4ENPC1MAPTRAB9A
SCHEMBL6675985 0.89 GRM2 (0.31) GRM2
SCHEMBL6679129 0.88 KDM4E (0.31) GRM2KDM4ENPC1MAPTRAB9A
SCHEMBL6684402 0.88 ADRA2A (0.31) GRM2
SCHEMBL6681139 0.87 KDM4E (0.31) GRM2KDM4ENPC1MAPTRAB9A
SCHEMBL6686115 0.86 RXRA (0.32) GRM2
SCHEMBL6682282 0.85 SLC9A1 (0.33) KDM4EMAPT
SCHEMBL6682109 0.83 STAT5B (0.36) GRM2

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