SCHEMBL7809238

SCHEMBL7809238

COc1ccc(CCN(C)C(=O)CCCCCBr)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
KMT2A Q03164 3/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
AOC3 Q16853 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ATM Q13315 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL7273901 0.84 CDK8 (0.63) CDK8CLK4KMT2ARAB9ANPC1
SCHEMBL8790338 0.82 CDK8 (0.63) CDK8CLK4KMT2ARAB9ANPC1
SCHEMBL10879740 0.80 CDK8 (0.67) CDK8CLK4KMT2ARAB9ANPC1
SCHEMBL3999705 0.80 CDK8 (0.74) CDK8CLK4KMT2ARAB9ANPC1
SCHEMBL26710460 0.80 CDK8 (0.57) CDK8CLK4KMT2ARAB9ANPC1
SCHEMBL8789349 0.79 CDK8 (0.72) CDK8CLK4KMT2ARAB9ANPC1
SCHEMBL9426326 0.79 CDK8 (0.68) CDK8CLK4RAB9ANPC1L3MBTL1
SCHEMBL8789844 0.78 CDK8 (0.58) CDK8CLK4KMT2ARAB9ANPC1
SCHEMBL14276933 0.77 CYP3A4 (0.66) CDK8CLK4KMT2ARAB9AL3MBTL1
SCHEMBL10411628 0.77 ATM (0.58) CYP1A2CYP3A4CYP2D6BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663395-B1 3-(phenylalkylaminoalkyloxy)-5-phenylpyrazole derivatives, process and intermediates for their preparation and their use as cardiac rhythm reduction agent SOLVAY PHARM GMBH (DE) 2001-05-16 EP disclosed
US-5679699-A ANTIISCHEMIC AGENTS, HEART RATE LOWERING AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1997-10-21 US disclosed
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 US disclosed
EP-0663395-A1 3-(phenylalkylaminoalkyloxy)-5-phenylpyrazole derivatives, process and intermediates for their preparation and their use as cardiac rhythm reduction agent Kali-Chemie Pharma GmbH (DE) 1995-07-19 EP disclosed