SCHEMBL701092

SCHEMBL701092

C[Si](C)(C)CCOCn1nc(CNC2CN3CCC2CC3)c2c(C(=O)O)cc(Br)cc21.[LiH]

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.31

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
SCHEMBL4324045 0.99 CHRNA7 (0.31) CHRNA7
SCHEMBL4324041 0.99 CHRNA7 (0.31) CHRNA7
SCHEMBL702088 0.92 OPRK1 (0.33) CHRNA7
SCHEMBL702087 0.92 OPRK1 (0.33) CHRNA7
Lithium Ion SCHEMBL701091 0.91 CHRNA7 (0.30) CHRNA7
SCHEMBL700098 0.87 HTR3A (0.35)
SCHEMBL4318410 0.86 HTR3A (0.35)
SCHEMBL4318408 0.86 HTR3A (0.35)
SCHEMBL701058 0.81 CHRM2 (0.35) CHRNA7
SCHEMBL701059 0.81 CHRM2 (0.35) CHRNA7

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