SCHEMBL700098

SCHEMBL700098

C[Si](C)(C)CCOCn1nc(CNC2CN3CCC2CC3)c2c(C(=O)O)cccc21.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4318410 0.99 HTR3A (0.35) HTR3AKCNH2
SCHEMBL4318408 0.99 HTR3A (0.35) HTR3AKCNH2
SCHEMBL701058 0.92 CHRM2 (0.35) HTR3AKCNH2
SCHEMBL701059 0.92 CHRM2 (0.35) HTR3AKCNH2
Lithium Ion SCHEMBL700097 0.91 HTR3A (0.34) HTR3A
SCHEMBL701092 0.87 CHRNA7 (0.31)
SCHEMBL4324041 0.86 CHRNA7 (0.31)
SCHEMBL4324045 0.86 CHRNA7 (0.31)
SCHEMBL1673275 0.85 GAA (0.32) HTR3A
SCHEMBL699992 0.85 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