SCHEMBL6949028

SCHEMBL6949028

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
IL6 P05231 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
F10 P00742 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL7464132 0.88 KDM4E (0.44) KDM4EMAPK1HRH3NPC1RAB9A
SCHEMBL9733579 0.85 HRH3 (0.57) KDM4EMAPK1HRH3NPC1RAB9A
SCHEMBL22465802 0.85 KDM4E (0.44) KDM4EMAPK1HRH3NPC1RAB9A
SCHEMBL1857662 0.84 HRH3 (0.59) KDM4EMAPK1HRH3NPC1RAB9A
SCHEMBL9202121 0.83 CHKA (0.55) KDM4EMAPK1HRH3NPC1RAB9A
SCHEMBL17075531 0.82 HRH3 (0.61) MAPK1HRH3NPC1RAB9AKMT2A
SCHEMBL18173335 0.82 MAPK1 (0.47) KDM4EMAPK1HRH3NPC1RAB9A
Trifluoroacetic Acid SCHEMBL6949653 0.81 F11 (0.44) KDM4EMAPK1HRH3NPC1RAB9A
SCHEMBL15033011 0.80 KDM4E (0.67) KDM4EMAPK1KMT2AALDH1A1
SCHEMBL31043166 0.80 HRH3 (0.46) KDM4EMAPK1HRH3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649627-B1 N-Substituted with 1- (pyrid-2-yl)-piperidine-4-yl radical; gastrointestinal and psychological disorder treatment; antidiabetic tocolytic, and antidepressant agents; irritable bowel syndrome, glaucoma and dysmenorrhoea SANOFI-SYNTHELABO (FR) 2003-11-18 US disclosed
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed