SCHEMBL7180280

SCHEMBL7180280

COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(F)cc1N)CC2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.67
DRD3 P35462 3/20 0.67
DRD2 P14416 2/20 0.67
DRD4 P21917 2/20 0.61
TMEM97 Q5BJF2 3/20 0.59
ABCB1 P08183 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54

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
SCHEMBL4043245 0.87 SIGMAR1 (0.71) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL4040849 0.83 ABCB1 (0.79) ABCB1ABCG2
SCHEMBL9433141 0.83 ABCB1 (0.69) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL7170168 0.82 SIGMAR1 (0.56) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL4042171 0.81 SIGMAR1 (0.71) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL8285666 0.81 SIGMAR1 (1.00) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL8285657 0.79 SIGMAR1 (1.00) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL13631985 0.79 SIGMAR1 (0.81) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL1887340 0.78 SIGMAR1 (0.86) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL12673255 0.77 SIGMAR1 (0.85) SIGMAR1DRD3DRD2DRD4TMEM97

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-0934276-B1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LTD (GB) 2003-12-17 EP disclosed
US-6218393-B1 IN THERAPY OF MULTIDRUG RESISTANT CANCERS, FOR EXAMPLE TO POTENTIATE CYTOTOXICITY OF CANCER DRUG XENOVA LIMITED (GB) 2001-04-17 US disclosed