SCHEMBL7395608

SCHEMBL7395608

CC(=O)NC1CCN(CCNC(=O)c2nn(C(C)C)c3ccccc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.72
KCNH2 Q12809 3/20 0.64
HTR2A P28223 2/20 0.61

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 SCHEMBL7394778 0.97 HTR4 (0.77) HTR4KCNH2HTR2A
SCHEMBL9055122 0.91 HTR4 (0.73) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7392734 0.90 HTR4 (0.77) HTR4KCNH2HTR2A
SCHEMBL7561756 0.90 HTR4 (0.76) HTR4KCNH2HTR2A
SCHEMBL4933435 0.89 HTR4 (0.67) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7393972 0.89 HTR4 (0.75) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7396297 0.88 HTR4 (0.74) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL8056984 0.88 HTR4 (0.80) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7394634 0.87 HTR4 (0.73) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7397043 0.87 HTR4 (0.73) HTR4KCNH2HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732333-B1 Indazolecarboxamides LILLY CO ELI (US) 2001-08-01 EP claimed
US-5654320-A SEROTONIN RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 1997-08-05 US claimed
WO-1996033713-A1 INDAZOLECARBOXAMIDES ELI LILLY AND COMPANY (US) 1996-10-31 WO claimed
EP-0732333-A1 Indazolecarboxamides ELI LILLY AND COMPANY (US) 1996-09-18 EP claimed