SCHEMBL4695673

SCHEMBL4695673

N#Cc1ccc(-c2nn(Cc3ccccc3)c3c2CCN(C(=O)O)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.56
HTR7 P34969 2/20 0.52
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52

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
SCHEMBL4419022 0.87 HTR7 (0.65) KCNK3HTR7HTR1AHTR2A
SCHEMBL2075223 0.87 KCNK3 (0.53) KCNK3HTR7HTR1AHTR2A
SCHEMBL2075896 0.81 HTR7 (0.77) KCNK3HTR7HTR1AHTR2A
SCHEMBL10799759 0.75 CREBBP (0.72) KCNK3
SCHEMBL17317503 0.74 KCNK3 (0.64) KCNK3
SCHEMBL2073889 0.74 HTR7 (0.56) KCNK3HTR7HTR1AHTR2A
SCHEMBL10805154 0.74 KCNK3 (0.66) KCNK3HTR7HTR1AHTR2A
SCHEMBL14784434 0.73 KCNK3 (0.80) KCNK3
SCHEMBL2075636 0.73 HTR7 (0.60) KCNK3HTR7HTR1AHTR2A
SCHEMBL2076624 0.73 HTR7 (0.66) KCNK3HTR7HTR1AHTR2A

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-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO disclosed