SCHEMBL4900877

SCHEMBL4900877

CC1CCCN1CCc1cc2cc(-c3cn[nH]c3)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 1.00
KCNH2 Q12809 2/20 0.66

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
SCHEMBL2784504 1.00 HRH3 (1.00) HRH3KCNH2
SCHEMBL2787755 0.92 HRH3 (0.85) HRH3KCNH2
SCHEMBL2787753 0.92 HRH3 (0.85) HRH3KCNH2
SCHEMBL2784926 0.85 HRH3 (0.73) HRH3KCNH2
SCHEMBL2786108 0.83 HRH3 (0.78) HRH3KCNH2
SCHEMBL7138355 0.82 HRH3 (0.74) HRH3KCNH2
SCHEMBL2786130 0.82 HRH3 (0.74) HRH3KCNH2
SCHEMBL7145496 0.82 HRH3 (0.77) HRH3KCNH2
SCHEMBL2783774 0.82 HRH3 (0.74) HRH3KCNH2
SCHEMBL2784160 0.82 HRH3 (0.77) 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
US-20080159958-A1 DETERMINATION OF HISTAMINE-3 BIOACTIVITY ABBOTT LABORATORIES (US) 2008-07-03 US disclosed