SCHEMBL4788313

SCHEMBL4788313

Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1CCc2cccc(OC3CCN(C)CC3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.55
SCN9A Q15858 3/20 0.55
SCN5A Q14524 2/20 0.55
MTNR1A P48039 7/20 0.50
MTNR1B P49286 7/20 0.50
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ADORA2A P29274 2/20 0.39
KDM4E B2RXH2 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RIPK1 Q13546 1/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PKM P14618 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 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
SCHEMBL4786931 0.86 KCNH2 (0.58) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL4785773 0.84 KCNH2 (0.72) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL4788501 0.84 KCNH2 (0.72) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL4789252 0.84 KCNH2 (0.50) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL4786772 0.82 MTNR1A (0.49) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL4787985 0.82 MTNR1A (0.48) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL841303 0.78 SCN9A (0.71) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL840155 0.78 SCN9A (0.57) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL4786804 0.73 MTNR1A (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL4788553 0.72 KCNH2 (0.55) KCNH2SCN9AMTNR1AMTNR1BCYP1A2

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