SCHEMBL4960269

SCHEMBL4960269

COc1ccccc1C(=O)NC[C@@H](CCCO)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.62
HPGD P15428 3/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.51
CTSD P07339 1/20 0.49
HCN1 O60741 1/20 0.47
HCN4 Q9Y3Q4 1/20 0.47
P2RX7 Q99572 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45

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
SCHEMBL5161043 1.00 KCNA3 (0.62) KCNA3HPGDTP53GLAGAA
SCHEMBL5162069 0.88 KCNA3 (0.65) KCNA3HPGDTP53GLAGAA
SCHEMBL7976348 0.88 KCNA3 (0.65) KCNA3HPGDTP53GLAGAA
SCHEMBL5159523 0.85 KCNA3 (0.68) KCNA3HPGDTP53GLAGAA
SCHEMBL5159459 0.85 KCNA3 (0.68) KCNA3HPGDTP53GLAGAA
SCHEMBL5157294 0.84 KCNA3 (0.75) KCNA3HPGDTP53GLAALDH1A1
SCHEMBL4965050 0.82 KCNA3 (0.69) KCNA3HPGDTP53GLAGAA
SCHEMBL5160776 0.81 KCNA3 (0.62) KCNA3HPGDTP53GLAGAA
SCHEMBL5161979 0.81 KCNA3 (0.62) KCNA3HPGDTP53GLAGAA
SCHEMBL5158992 0.79 KCNA3 (0.76) KCNA3HPGDTP53GLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368020-B1 METHOD FOR IDENTIFYING MAXI-K CHANNEL BLOCKERS MERCK & CO INC (US) 2008-03-05 EP claimed
EP-1126836-B1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-02-14 EP claimed
US-20040115739-A1 Method for identifying maxi-k channel blockers for use in lowering elevated intraocular pressure using hek-293 cells GARCIA MARIA L (US) 2004-06-17 US claimed
WO-2002060340-A9 METHOD FOR IDENTIFYING MAXI-K CHANNEL BLOCKERS MERCK & CO INC (US) 2002-11-21 WO claimed
US-6194458-B1 1-(2-METHOXYPHENYL)-1-OXO-2-AZA-(S)-4-I-BUTYL-4-PHENYLBUTANE, FOR EXAMPLE; TREATING VARIOUS CONDITIONS INCLUDING TRANSPLANTATION REJECTION OF ORGANS OR TISSUES IN A PATIENT; IMMUNOSUPPRESSANT COMPOSITIONS MERCK & CO., INC. 2001-02-27 US claimed
EP-1368020-B1 METHOD FOR IDENTIFYING MAXI-K CHANNEL BLOCKERS MERCK & CO INC (US) 2008-03-05 EP disclosed
EP-1126836-B1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-02-14 EP disclosed
US-20040115739-A1 Method for identifying maxi-k channel blockers for use in lowering elevated intraocular pressure using hek-293 cells GARCIA MARIA L (US) 2004-06-17 US disclosed
US-6194458-B1 1-(2-METHOXYPHENYL)-1-OXO-2-AZA-(S)-4-I-BUTYL-4-PHENYLBUTANE, FOR EXAMPLE; TREATING VARIOUS CONDITIONS INCLUDING TRANSPLANTATION REJECTION OF ORGANS OR TISSUES IN A PATIENT; IMMUNOSUPPRESSANT COMPOSITIONS MERCK & CO., INC. 2001-02-27 US disclosed