SCHEMBL7009826

SCHEMBL7009826

CC(=O)NCC1CCc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.43
MTNR1B P49286 6/20 0.43
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DKK1 O94907 1/20 0.35
PRKCB P05771 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
SCN4A P35499 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN3A Q9NY46 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
SCHEMBL6851333 0.83 CCR2 (0.41)
SCHEMBL6850900 0.82 CHRM3 (0.31) CHRM2CHRM1CHRM3
SCHEMBL6849628 0.81 CCR2 (0.41) HDAC3HDAC1HDAC2
SCHEMBL6851108 0.80 LMNA (0.41)
SCHEMBL6851071 0.80 CCR2 (0.43) HDAC3HDAC1HDAC2
SCHEMBL7009824 0.80 HSD11B1 (0.32) CHRM2CHRM1CHRM3
SCHEMBL6846889 0.79 CHRM2 (0.33) CHRM2CHRM1CHRM3
SCHEMBL1417838 0.79 CYP46A1 (0.41) MTNR1ACHRM2CHRM1CHRM3
SCHEMBL1417680 0.77 PDK1 (0.34)
SCHEMBL1417623 0.77 ALDH1A1 (0.37)

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