SCHEMBL7464132

SCHEMBL7464132

COC(=O)c1ccc(CN2CCC(CN)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
CHRM4 P08173 1/20 0.43
MAPK1 P28482 3/20 0.43
HRH3 Q9Y5N1 2/20 0.42
IL6 P05231 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL6949653 0.93 F11 (0.44) KDM4ECHRM4MAPK1HRH3IL6
SCHEMBL6949028 0.88 KDM4E (0.46) KDM4EMAPK1HRH3IL6TLR7
SCHEMBL12965907 0.85 KDM4E (0.45) KDM4EHRH3IL6TLR7L3MBTL1
SCHEMBL9733579 0.83 HRH3 (0.57) KDM4EMAPK1HRH3NPC1RAB9A
SCHEMBL22465802 0.83 KDM4E (0.44) KDM4ECHRM4MAPK1HRH3NPC1
SCHEMBL1857662 0.82 HRH3 (0.59) KDM4EMAPK1HRH3NPC1RAB9A
SCHEMBL12965883 0.81 KDM4E (0.64) KDM4ECHRM4MAPK1KMT2AKDM1A
SCHEMBL9202121 0.81 CHKA (0.55) KDM4EMAPK1HRH3NPC1RAB9A
SCHEMBL7078749 0.81 CKS1B (0.48) KDM4ECHRM4KDM1AHDAC6JAK2
SCHEMBL13059656 0.81 RAB9A (0.60) MAPK1HRH3NPC1RAB9AKMT2A

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-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 WO disclosed