SCHEMBL699992

SCHEMBL699992

CCn1nc(CNC2CN3CCC2CC3)c2c(C(=O)O)cccc21.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.42
GAA P10253 1/20 0.38

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
SCHEMBL4311857 0.99 HTR3A (0.43) HTR3AGAA
SCHEMBL4311862 0.99 HTR3A (0.43) HTR3AGAA
SCHEMBL4322855 0.99 HTR3A (0.43) HTR3AGAA
SCHEMBL701065 0.91 HTR3A (0.41) HTR3A
SCHEMBL703134 0.90 HTR3A (0.37) HTR3AGAA
SCHEMBL699988 0.90 HTR3A (0.42) HTR3A
SCHEMBL699989 0.90 HTR3A (0.42) HTR3A
Lithium Ion SCHEMBL702370 0.90 HTR3A (0.42) HTR3AGAA
SCHEMBL4326339 0.90 HTR3A (0.42) HTR3A
SCHEMBL4326345 0.90 HTR3A (0.42) HTR3A

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-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed