SCHEMBL28044444

SCHEMBL28044444

O=C(c1cc[c]cc1)N1CCCC1CN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.57
KCNH2 Q12809 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
SCHEMBL591348 1.00 HRH3 (0.57) HRH3KCNH2
SCHEMBL591304 1.00 HRH3 (0.57) HRH3KCNH2
SCHEMBL10293596 0.86 HRH3 (0.62) HRH3KCNH2
SCHEMBL10293592 0.86 HRH3 (0.62) HRH3KCNH2
SCHEMBL1794728 0.84 HRH3 (0.61) HRH3KCNH2
SCHEMBL1794727 0.84 HRH3 (0.61) HRH3KCNH2
SCHEMBL4452023 0.84 POLB (0.53)
SCHEMBL1799107 0.83 HRH3 (0.60) HRH3KCNH2
SCHEMBL1835474 0.83 HRH3 (0.60) HRH3KCNH2
SCHEMBL3565339 0.83 HRH3 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101594862-B Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-11-25 CN disclosed