SCHEMBL4369018

SCHEMBL4369018

Fc1cccc(NCC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.52
F10 P00742 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 1/20 0.45
MAP4K4 O95819 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
VCP P55072 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ICMT O60725 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOS1 P29475 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13438917 0.92 CRHR1 (0.47) CRHR1F10KDM4EHPGDMAP4K4
SCHEMBL11935235 0.92 CRHR1 (0.47) CRHR1F10KDM4EHPGDMAP4K4
SCHEMBL17090174 0.80 CRHR1 (0.49) CRHR1F10KDM4E
SCHEMBL13565550 0.80 CRHR1 (0.49) CRHR1F10KDM4E
SCHEMBL17090145 0.80 GRIA4 (0.47) CRHR1KDM4E
SCHEMBL13565889 0.80 GRIA4 (0.47) CRHR1KDM4E
SCHEMBL632625 0.78 POLB (0.60) CRHR1KDM4EMEN1KMT2AVCP
SCHEMBL1419784 0.78 PRKCQ (0.48) CRHR1KDM4EMEN1KMT2AGAA
SCHEMBL25547612 0.78 CRHR1 (0.41) CRHR1
SCHEMBL7740379 0.78 CRHR1 (0.41) CRHR1F10HTTMAPT

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
EP-2114158-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-11-11 EP disclosed
WO-2008085505-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed