SCHEMBL4359564

SCHEMBL4359564

CCc1nc2ccncc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.COc1cc2c(=O)n(-c3ccc(OCCCN4CCCCC4)cc3)c(C)nc2cn1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.62
KCNH2 Q12809 10/20 0.54
ADRA1A P35348 1/20 0.49

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
SCHEMBL4464770 0.83 HRH3 (0.69) HRH3KCNH2ADRA1A
SCHEMBL4469611 0.82 HRH3 (0.77) HRH3KCNH2
SCHEMBL4484422 0.82 HRH3 (0.70) HRH3KCNH2ADRA1A
SCHEMBL4474622 0.81 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL502075 0.81 HRH3 (0.81) HRH3KCNH2
SCHEMBL502213 0.81 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL4478203 0.80 HRH3 (0.74) HRH3KCNH2
SCHEMBL502298 0.80 HRH3 (0.78) HRH3KCNH2ADRA1A
SCHEMBL4468136 0.80 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL4468499 0.80 HRH3 (0.77) HRH3KCNH2ADRA1A

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
EP-2010519-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP disclosed
WO-2007120655-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO disclosed