SCHEMBL4883896

SCHEMBL4883896

CC1=CN=CCC2=C1NC(N1CCCCC1)CC2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL4395745 0.73
Ammonia Solution, Strong SCHEMBL3415761 0.60
SCHEMBL12650698 0.60 HRH3 (0.36) HRH3
SCHEMBL16823383 0.56 TSHR (0.45)
SCHEMBL23253168 0.53 ALDH1A1 (0.30)
Ammonia Solution, Strong SCHEMBL9126637 0.53 ALDH1A1 (0.37) HRH3
SCHEMBL11624555 0.52
SCHEMBL8831929 0.52 ALDH1A1 (0.36)
SCHEMBL31553311 0.51 KDM4E (0.35) HRH3
SCHEMBL19386534 0.51

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
WO-2008009125-A9 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS NPS ALLELIX CORP (CA) 2008-07-24 WO disclosed