SCHEMBL8808363

SCHEMBL8808363

COc1ccc(CN(C)CCCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.46
▸ MAOB P27338 6/20 0.46
▸ ACHE P22303 7/20 0.46
▸ KDR P35968 2/20 0.45
▸ OPRM1 P35372 2/20 0.44
▸ TMEM97 Q5BJF2 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ BCHE P06276 5/20 0.42
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL8810117 0.96 MCHR1 (0.45) MAOAMAOBACHEKDROPRM1
SCHEMBL8808236 0.93 MAPT (0.45) MAOAMAOBKDR
SCHEMBL8809632 0.92 BCHE (0.44) MAOBACHEOPRM1TMEM97SIGMAR1
SCHEMBL8809566 0.91 BCHE (0.43) MAOAMAOBACHEOPRM1TMEM97
SCHEMBL8808101 0.90 BCHE (0.43) MAOAMAOBACHEOPRM1TMEM97
SCHEMBL8807951 0.90 BCHE (0.45) ACHEOPRM1TMEM97SIGMAR1BCHE
SCHEMBL8809362 0.90 SMN1; SMN2 (0.43) MAOAMAOBACHEOPRM1TMEM97
SCHEMBL8807068 0.89 KCNH2 (0.44) KDR
SCHEMBL8808371 0.88 KDR (0.46) MAOAMAOBKDR
SCHEMBL8807015 0.85 ABCG2 (0.44) —

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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