SCHEMBL4788942

SCHEMBL4788942

Cn1ccnc1COc1cccc2c1CC(N)C(Cc1ccccc1)(Cc1ccccc1)O2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
EGLN1 Q9GZT9 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ROCK1 Q13464 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KDM1A O60341 2/20 0.31
DCPS Q96C86 1/20 0.31
SCN9A Q15858 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL4787846 0.77 HRH1 (0.47) KDM4E
SCHEMBL4750457 0.74 HTR2C (0.41) KDM4E
SCHEMBL6284886 0.66 MEN1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
Lithium Ion SCHEMBL4750393 0.64 SIGMAR1 (0.39) KDM1A
SCHEMBL14355884 0.63 DRD2 (0.54) MEN1KMT2A
SCHEMBL12864677 0.62 MEN1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30208017 0.61 KDM1A (0.44) MAPTKDM1ADCPS
SCHEMBL19667511 0.61 KDM1A (0.44) MAPTKDM1ADCPS
SCHEMBL14356011 0.61 HTR1A (0.60) MAPT
SCHEMBL4789083 0.61 MC4R (0.35) KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed