SCHEMBL6581773

SCHEMBL6581773

COc1ccc(CCN(C)CC(O)COc2nsc(-c3ccccc3)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMPD1 P17405 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
BLM P54132 2/20 0.45
CYP2C9 P11712 1/20 0.45
PMP22 Q01453 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPT P10636 1/20 0.42

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
Hydrochloric Acid SCHEMBL6579898 0.99 KMT2A (0.55) KMT2AMEN1KDM4EALDH1A1SMPD1
SCHEMBL6577701 0.84 SMPD1 (0.55) KMT2AMEN1KDM4EALDH1A1SMPD1
Hydrochloric Acid SCHEMBL6579984 0.83 SMPD1 (0.54) KMT2AMEN1KDM4EALDH1A1SMPD1
SCHEMBL6580042 0.77 DRD1 (0.48) KMT2AKDM4ESMPD1CYP1A2CYP3A4
SCHEMBL6577273 0.77 CYP1A2 (0.47) KMT2AKDM4ESMPD1CYP1A2CYP3A4
SCHEMBL9016259 0.77 KMT2A (0.62) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL9016243 0.77 KMT2A (0.66) KMT2AMEN1KDM4EALDH1A1SMPD1
Hydrochloric Acid SCHEMBL6581922 0.76 BLM (0.48) KMT2AMEN1KDM4ESMPD1CYP1A2
SCHEMBL6581800 0.76 CYP3A4 (0.48) KMT2AMEN1KDM4ESMPD1CYP1A2
Hydrochloric Acid SCHEMBL6581834 0.75 BLM (0.49) KMT2AMEN1KDM4ESMPD1CYP1A2

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-0737680-B1 (Phenylalkylaminoalkyloxyl)-hetero-aryl compounds, processes and intermediates for their preparation and medicaments containing these compounds SOLVAY PHARM GMBH (DE) 2004-03-03 EP disclosed
EP-0737680-A1 (Phenylalkylaminoalkyloxyl)-hetero-aryl compounds, processes and intermediates for their preparation and medicaments containing these compounds Kali-Chemie Pharma GmbH (DE) 1996-10-16 EP disclosed
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 US disclosed