SCHEMBL22313613

SCHEMBL22313613

CN1CC2CCN(I)C2C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.43
KCNH2 Q12809 2/20 0.37

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
SCHEMBL13946190 0.87 HRH3 (0.38) HRH3KCNH2
SCHEMBL22211413 0.86 NCF1 (0.33) HRH3
SCHEMBL22878212 0.84 HRH3 (0.35) HRH3KCNH2
SCHEMBL22728589 0.78
SCHEMBL22137954 0.78
SCHEMBL14083906 0.76 HRH3 (0.46) HRH3KCNH2
SCHEMBL17888356 0.76 HRH3 (0.46) HRH3KCNH2
SCHEMBL26396812 0.76 HRH3 (0.46) HRH3KCNH2
SCHEMBL8164081 0.76 HRH3 (0.46) HRH3KCNH2
SCHEMBL20065975 0.74 HRH3 (0.44) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310084-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF Jinan University (CN) 2024-01-24 EP disclosed
WO-2020160175-A1 QUINDOLINE COMPOUNDS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-06 WO disclosed
WO-2020160174-A1 USES OF COMPOUNDS HAVING ANTI-HSV-1 ACTIVITY UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2020-08-06 WO disclosed