SCHEMBL9055122

SCHEMBL9055122

CC(C)n1nc(C(=O)NCCN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.73
HTR2A P28223 2/20 0.63
KCNH2 Q12809 3/20 0.63

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
Oxalic Acid SCHEMBL7392734 0.98 HTR4 (0.77) HTR4HTR2AKCNH2
SCHEMBL7561756 0.96 HTR4 (0.76) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL8056984 0.94 HTR4 (0.80) HTR4HTR2AKCNH2
SCHEMBL7395608 0.91 HTR4 (0.72) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7394778 0.91 HTR4 (0.77) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7393972 0.90 HTR4 (0.75) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7396297 0.89 HTR4 (0.74) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7394634 0.88 HTR4 (0.73) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7395333 0.88 HTR4 (0.73) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7397043 0.88 HTR4 (0.73) HTR4HTR2AKCNH2

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-1996033713-A1 INDAZOLECARBOXAMIDES ELI LILLY AND COMPANY (US) 1996-10-31 WO disclosed