SCHEMBL4787985

SCHEMBL4787985

Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1CCc2cccc(OCCN(C)C)c2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.48
MTNR1B P49286 7/20 0.48
KCNH2 Q12809 2/20 0.47
SCN9A Q15858 2/20 0.47
SCN5A Q14524 1/20 0.47
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL4786772 0.89 MTNR1A (0.49) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL4789252 0.87 KCNH2 (0.50) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL4788313 0.82 KCNH2 (0.55) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL4785773 0.78 KCNH2 (0.72) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL4788501 0.78 KCNH2 (0.72) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL841303 0.77 SCN9A (0.71) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL840155 0.75 SCN9A (0.57) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL4789135 0.73 KCNH2 (0.47) KCNH2SCN9ASCN5AMAPTADORA2A
SCHEMBL4786534 0.73 MTNR1A (0.54) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL4788623 0.73 DRD2 (0.56) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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