SCHEMBL16587735

SCHEMBL16587735

CC(O)CN1CC2CC(C(C)C)CC2C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.33
GRIN1 Q05586 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
PIK3CD O00329 1/20 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
SCHEMBL14752132 0.83 PIK3CD (0.34) PIK3CD
SCHEMBL14752172 0.83 PIK3CD (0.34) PIK3CD
SCHEMBL12683378 0.82 GRIN2B (0.36) GRIN2BGRIN1MEN1ALDH1A1KMT2A
SCHEMBL16472406 0.82 GRIN2B (0.36) GRIN2BGRIN1MEN1ALDH1A1KMT2A
SCHEMBL16478751 0.78 GRIN2B (0.35) GRIN2BGRIN1
SCHEMBL16472312 0.77 MEN1 (0.38) GRIN2BGRIN1MEN1KMT2A
SCHEMBL26151481 0.77 KDM4E (0.33) MEN1ALDH1A1KMT2A
SCHEMBL25118501 0.77
SCHEMBL4573893 0.75 PIK3CD (0.36) GRIN2BPIK3CD
SCHEMBL21195838 0.72 PIK3CD (0.33) LMNAPIK3CD

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-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed