SCHEMBL7167663

SCHEMBL7167663

COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(N)cc1NC(=O)c1ccc(C(C)C)cc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.58
ABCG2 Q9UNQ0 5/20 0.58
DRD3 P35462 6/20 0.56
SIGMAR1 Q99720 5/20 0.56
DRD2 P14416 3/20 0.56
DRD4 P21917 4/20 0.52
TMEM97 Q5BJF2 1/20 0.50
DRD1 P21728 2/20 0.49

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
SCHEMBL7170172 0.91 SIGMAR1 (0.57) ABCB1ABCG2DRD3SIGMAR1DRD2
SCHEMBL7170168 0.90 SIGMAR1 (0.56) ABCB1ABCG2DRD3SIGMAR1DRD2
SCHEMBL7170938 0.89 ABCG2 (0.62) ABCB1ABCG2DRD3SIGMAR1DRD2
SCHEMBL7167644 0.88 ABCG2 (0.59) ABCB1ABCG2DRD3SIGMAR1DRD2
SCHEMBL7169868 0.86 MEN1 (0.58) ABCB1ABCG2DRD3SIGMAR1DRD2
SCHEMBL7171681 0.85 SIGMAR1 (0.69) ABCB1ABCG2DRD3SIGMAR1DRD2
SCHEMBL9433141 0.84 ABCB1 (0.69) ABCB1ABCG2DRD3SIGMAR1DRD2
SCHEMBL7167556 0.84 SIGMAR1 (0.58) ABCB1ABCG2DRD3SIGMAR1DRD2
SCHEMBL7171661 0.83 DRD3 (0.58) ABCB1ABCG2DRD3SIGMAR1DRD2
SCHEMBL7170330 0.83 DRD3 (0.53) ABCB1ABCG2DRD3SIGMAR1DRD2

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 5 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 claimed
US-6218393-B1 IN THERAPY OF MULTIDRUG RESISTANT CANCERS, FOR EXAMPLE TO POTENTIATE CYTOTOXICITY OF CANCER DRUG XENOVA LIMITED (GB) 2001-04-17 US claimed
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
CN-1241181-A Pharmaceutical compounds XENOVA LTD (GB) 2000-01-12 CN disclosed