SCHEMBL8806915

SCHEMBL8806915

COc1ccc(CN(C)CCCOc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.70
▸ TMEM97 Q5BJF2 4/20 0.70
▸ SIGMAR1 Q99720 4/20 0.70
▸ NPC1 O15118 2/20 0.57
▸ CASP3 P42574 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ SENP7 Q9BQF6 2/20 0.57
▸ NQO2 P16083 1/20 0.57
▸ MCHR1 Q99705 1/20 0.54
▸ PLAU P00749 1/20 0.51
▸ ABCB1 P08183 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ DRD2 P14416 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ACHE P22303 3/20 0.49
▸ BCHE P06276 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ROCK2 O75116 1/20 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
SCHEMBL8807451 0.88 ACHE (0.55) OPRM1TMEM97SIGMAR1MCHR1ACHE
SCHEMBL8789201 0.77 ABCG2 (0.59) OPRM1TMEM97SIGMAR1ABCB1ABCG2
SCHEMBL8807062 0.77 OPRM1 (0.49) OPRM1TMEM97SIGMAR1NPC1RAB9A
SCHEMBL8790765 0.76 ABCG2 (0.56) OPRM1TMEM97SIGMAR1NPC1RAB9A
SCHEMBL8808363 0.76 MAOA (0.46) OPRM1TMEM97SIGMAR1ACHEBCHE
SCHEMBL8789467 0.75 ABCG2 (0.49) OPRM1TMEM97SIGMAR1ABCB1ABCG2
SCHEMBL8807941 0.75 ABCB1 (0.57) OPRM1TMEM97SIGMAR1NPC1RAB9A
SCHEMBL8809414 0.75 ACHE (0.62) SIGMAR1ACHEBCHEMEN1KMT2A
SCHEMBL8806840 0.75 ACHE (0.56) OPRM1TMEM97SIGMAR1MCHR1ABCB1
SCHEMBL8790519 0.75 ABCG2 (0.48) OPRM1TMEM97SIGMAR1ABCB1ABCG2

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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