SCHEMBL20344707

SCHEMBL20344707

COc1cc(OCCCC#N)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.80
PLA2G7 Q13093 1/20 0.34
FLT3 P36888 1/20 0.33
DRD2 P14416 3/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL20344741 0.92 IL6 (0.81) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL20344688 0.91 IL6 (0.80) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL20344632 0.91 IL6 (0.81) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL18573561 0.90 IL6 (0.81) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL4581163 0.90 IL6 (0.82) IL6PLA2G7HTR2C
SCHEMBL20344621 0.89 IL6 (0.83) IL6PLA2G7HTR2C
SCHEMBL18573551 0.89 IL6 (1.00) IL6DRD2
SCHEMBL18573550 0.89 IL6 (1.00) IL6DRD2
SCHEMBL18573552 0.89 IL6 (1.00) IL6DRD2
SCHEMBL4134613 0.89 IL6 (0.84) IL6PLA2G7HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342768-A1 [4-(1, 3, 3-TRIMETHYL-2-OXO-3, 4-DIHYDRO-1H-QUINOXALIN-7-YL) PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF Santen Pharmaceutical Co., Ltd. (JP) 2018-07-04 EP disclosed