SCHEMBL13182913

SCHEMBL13182913

COc1ccc(CNC(=O)C2(c3ccccc3)CCN(C(=O)C3CC3C3C=CC=CC3)CC2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPY1R P25929 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ FPR3 P25089 1/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2469571 0.83 CHRM5 (0.45) CHRM5CHRM3KCNH2OPRD1NPY1R
SCHEMBL2472642 0.79 KMT2A (0.52) CHRM5CHRM3KCNH2OPRD1MAPT
SCHEMBL2470804 0.77 TSHR (0.53) CHRM5CHRM3KCNH2OPRD1MAPT
SCHEMBL2469507 0.77 USP2 (0.53) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2472072 0.77 ALDH1A1 (0.48) CHRM5CHRM3KCNH2OPRD1MAPT
SCHEMBL2472775 0.76 KMT2A (0.48) CHRM5CHRM3KCNH2OPRD1MAPT
SCHEMBL2472772 0.76 KMT2A (0.48) CHRM5CHRM3KCNH2OPRD1MAPT
SCHEMBL2860469 0.75 ALDH1A1 (0.56) CHRM5CHRM3MAPTALDH1A1KMT2A
SCHEMBL2468936 0.74 ALDH1A1 (0.58) CHRM5CHRM3KCNH2OPRD1MAPT
SCHEMBL2467331 0.74 TAS1R3 (0.48) CHRM5CHRM3KCNH2OPRD1THRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 — — EP disclosed
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