SCHEMBL7356345

SCHEMBL7356345

COc1ccc(CCCNCCC(=O)Nc2ccc(OCc3ccccc3)c(OC)c2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
MTNR1A P48039 3/20 0.64
MTNR1B P49286 3/20 0.64
HDAC1 Q13547 10/20 0.63
HDAC2 Q92769 10/20 0.63
APP P05067 1/20 0.55
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
BCHE P06276 1/20 0.51
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL7323568 0.82 CYP3A4 (0.64) NPC1RAB9AMTNR1AMTNR1BHDAC1
SCHEMBL7359187 0.82 KMT2A (0.58) NPC1RAB9AHDAC1HDAC2
SCHEMBL7355959 0.82 HDAC1 (0.54) NPC1RAB9AHDAC1HDAC2POLB
SCHEMBL7335367 0.82 NPC1 (0.55) NPC1RAB9AHDAC1HDAC2POLB
SCHEMBL7360125 0.82 NPC1 (0.55) NPC1RAB9AHDAC1HDAC2POLB
SCHEMBL7326223 0.81 NPC1 (0.54) NPC1RAB9AHDAC1HDAC2
SCHEMBL7322931 0.80 NPC1 (0.63) NPC1RAB9AMTNR1AMTNR1BHDAC1
SCHEMBL5211526 0.79 MTNR1A (0.82) MTNR1AMTNR1BAPPPLAAT3PLAAT5
SCHEMBL7331861 0.77 PLAAT3 (0.57) MTNR1AMTNR1BHDAC1HDAC2PLAAT3
SCHEMBL18760165 0.77 NPC1 (0.67) NPC1RAB9AHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852142-A1 Diamines in the treatment of arrhythmia SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-07-08 EP disclosed
EP-0639973-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1995-03-01 EP disclosed
WO-1993023024-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1993-11-25 WO disclosed