SCHEMBL7396763

SCHEMBL7396763

CC(C)n1nc(C(=O)NCCN2CCC(N)CC2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.67
KCNH2 Q12809 4/20 0.67
HTR2A P28223 7/20 0.65

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
Hydrochloric Acid SCHEMBL7393717 0.87 HTR4 (0.65) HTR4KCNH2HTR2A
SCHEMBL7395608 0.87 HTR4 (0.72) HTR4KCNH2HTR2A
Hydrochloric Acid SCHEMBL7394154 0.86 HTR4 (0.66) HTR4KCNH2HTR2A
SCHEMBL9055122 0.86 HTR4 (0.73) HTR4KCNH2HTR2A
SCHEMBL7391976 0.85 HTR4 (0.66) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7392734 0.85 HTR4 (0.77) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7400224 0.85 HTR4 (0.71) HTR4KCNH2HTR2A
SCHEMBL7391496 0.85 HTR4 (0.63) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7394778 0.85 HTR4 (0.77) HTR4KCNH2HTR2A
SCHEMBL6950149 0.84 HTR4 (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732333-B1 Indazolecarboxamides LILLY CO ELI (US) 2001-08-01 EP disclosed
US-5817676-A 5-HT4 RECEPTOR ANTAGONISTS, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1998-10-06 US disclosed
US-5798367-A ANTAGONIZE 5-HYDROXYTRYPTAMINE RECEPTOR IN GASTROINTESTINAL TRACT OR GENITOURINARY TRACT ELI LILLY AND COMPANY (US) 1998-08-25 US disclosed
US-5654320-A SEROTONIN RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
WO-1996033713-A1 INDAZOLECARBOXAMIDES ELI LILLY AND COMPANY (US) 1996-10-31 WO disclosed
EP-0732333-A1 Indazolecarboxamides ELI LILLY AND COMPANY (US) 1996-09-18 EP disclosed