SCHEMBL7009824

SCHEMBL7009824

NC(=O)CCC1CCc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CHRM3 P20309 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6850900 0.83 CHRM3 (0.31) CHRM3CHRM2CHRM1
SCHEMBL6846889 0.83 CHRM2 (0.33) CHRM3CHRM2CHRM1
SCHEMBL7009826 0.80 MTNR1A (0.43) CHRM3CHRM2CHRM1
SCHEMBL1417680 0.78 PDK1 (0.34)
SCHEMBL6849635 0.76 ACHE (0.35) ALDH1A1ACHE
SCHEMBL6849628 0.74 CCR2 (0.41) MEN1KMT2AALDH1A1BCHEACHE
SCHEMBL6851333 0.74 CCR2 (0.41) SMN1; SMN2MEN1KMT2ALMNABCHE
SCHEMBL1417623 0.73 ALDH1A1 (0.37) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL6852753 0.73 CHRM3 (0.33) CHRM3CHRM2CHRM1
SCHEMBL6846766 0.73 CHRM3 (0.33) CHRM3CHRM2CHRM1

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-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed