SCHEMBL3240367

SCHEMBL3240367

CNc1nc(N2CCN(c3cnccn3)CC2)nc(N)c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.40
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
HK1 P19367 1/20 0.38
RAB9A P51151 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
GBA1 P04062 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.35
HTR3A P46098 1/20 0.34

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
SCHEMBL3247675 0.82 NPC1 (0.57) KDM4ELMNANPC1HK1RAB9A
SCHEMBL6789948 0.80 KDM4E (0.47) SORDKDM4EL3MBTL1LMNAGBA1
SCHEMBL7161387 0.73 CASP1 (0.51) KDM4ELMNAMEN1KMT2ATP53
SCHEMBL6664557 0.73 HRH1 (0.44) KDM4EKMT2AALDH1A1HRH4MAPT
Hydrochloric Acid SCHEMBL18153315 0.72 HTR2A (0.46) KDM4EKMT2AALDH1A1HRH4MAPT
SCHEMBL6664410 0.71 KDM4E (0.51) KDM4EL3MBTL1LMNANPC1HK1
SCHEMBL12918424 0.69 KDM4E (0.50) SORDKDM4EL3MBTL1LMNATP53
SCHEMBL5788789 0.68 CRHBP (0.60) SORDGBA1HRH4MAPT
SCHEMBL31254465 0.68 PTPN11 (0.51) KDM4EL3MBTL1LMNANPC1RAB9A
SCHEMBL2074813 0.66 LMNA (0.54) SORDKDM4EL3MBTL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
WO-2004014307-A2 GAL3 ANTAGONISTS FOR THE TREATMENT OF NEUROPATHIC PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
WO-2004014376-A1 GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF AFFECTIVE DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
EP-1363638-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS Synaptic Pharmaceutical Corporation (US) 2003-11-26 EP disclosed
WO-2002060392-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-08-08 WO disclosed