SCHEMBL16996948

SCHEMBL16996948

CC(C)CCN1CC2CCNCC2C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.33
GNAO1 P09471 3/20 0.33
GNAI1 P63096 3/20 0.33
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL16996951 0.88 GNAI3 (0.40) GNAI3GNAO1GNAI1
SCHEMBL25579776 0.87 CHRNB2 (0.38) HRH2HRH1HRH3CHRNB2CHRNB4
SCHEMBL24784856 0.79 GNAO1 (0.50) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL8369959 0.77 CHRNB2 (0.37) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL29314332 0.77 HRH3 (0.33) HRH3
SCHEMBL19545302 0.75 CHRNB2 (0.32) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL25681871 0.74 CHRNB2 (0.35) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL26675168 0.74 CHRNB2 (0.35) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL1991711 0.74 CHRNB2 (0.35) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL12209130 0.73 CHRNB2 (0.32) HRH3CHRNB2CHRNB4CHRNA3CHRNA7

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-2015120049-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-08-13 WO disclosed