SCHEMBL8807326

SCHEMBL8807326

COc1ccc(CN(C)CCCc2ccc(NC(=O)c3[nH]c4ccccc4c3C(=O)c3ccccc3)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.47
▸ ACHE P22303 4/20 0.47
▸ OPRM1 P35372 3/20 0.46
▸ TMEM97 Q5BJF2 3/20 0.46
▸ SIGMAR1 Q99720 3/20 0.46
▸ OPRK1 P41145 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ SLC34A2 O95436 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ABCG2 Q9UNQ0 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
SCHEMBL8807334 0.89 MAPT (0.42) BCHEACHESLC34A2MAPTMEN1
SCHEMBL8788454 0.81 ABCG2 (0.64) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8789989 0.78 ABCG2 (0.63) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8791484 0.78 ABCG2 (0.62) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8807941 0.78 ABCB1 (0.57) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8806840 0.78 ACHE (0.56) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8789541 0.76 ABCG2 (0.65) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8808214 0.76 ABCG2 (0.46) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8790168 0.75 ABCG2 (0.62) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8789246 0.74 ABCG2 (0.66) KDM4EMAPTTP53MEN1KMT2A

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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