SCHEMBL8808995

SCHEMBL8808995

COc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.49
▸ KDR P35968 3/20 0.46
▸ BCHE P06276 3/20 0.43
▸ ACHE P22303 3/20 0.43
▸ ABCG2 Q9UNQ0 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL8808214 0.90 ABCG2 (0.46) MCHR1BCHEACHEABCG2ALOX5
SCHEMBL8807856 0.90 ABCG2 (0.45) MCHR1BCHEACHEABCG2ALOX5
SCHEMBL8809001 0.88 KDR (0.47) MCHR1KDRABCG2MEN1KMT2A
SCHEMBL8788702 0.86 ABCG2 (0.59) MCHR1KDRBCHEACHEABCG2
SCHEMBL8789576 0.86 ABCG2 (0.56) MCHR1KDRBCHEACHEABCG2
SCHEMBL8789201 0.83 ABCG2 (0.59) KDRBCHEACHEABCG2MEN1
SCHEMBL8790765 0.82 ABCG2 (0.56) KDRBCHEACHEABCG2OPRM1
SCHEMBL8808218 0.81 ABCG2 (0.44) ABCG2MEN1KMT2AABCB1TP53
SCHEMBL8789467 0.81 ABCG2 (0.49) KDRBCHEACHEABCG2OPRM1
SCHEMBL8815851 0.81 BCHE (0.43) MCHR1KDRBCHEACHEABCG2

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
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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