SCHEMBL20344688

SCHEMBL20344688

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

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.80
PLA2G7 Q13093 1/20 0.35
DRD2 P14416 8/20 0.33
DRD4 P21917 7/20 0.33
DRD3 P35462 7/20 0.33
HTR2C P28335 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL18573561 0.96 IL6 (0.81) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL20344741 0.94 IL6 (0.81) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL20344632 0.92 IL6 (0.81) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL20335202 0.92 IL6 (0.77) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL4581163 0.91 IL6 (0.82) IL6PLA2G7HTR2CAKR1A1AKR1B1
SCHEMBL20344707 0.91 IL6 (0.80) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL20344621 0.91 IL6 (0.83) IL6PLA2G7HTR2C
SCHEMBL4134613 0.90 IL6 (0.84) IL6PLA2G7HTR2C
SCHEMBL20335214 0.90 IL6 (0.73) IL6PLA2G7DRD2DRD4DRD3
SCHEMBL1918700 0.90 IL6 (0.80) 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