SCHEMBL21233799

SCHEMBL21233799

C=C1N(CC(C)C)CC12CCCN2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.33

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
SCHEMBL15937141 0.81 PIK3CD (0.39) PIK3CD
SCHEMBL21233890 0.72 TSHR (0.36)
SCHEMBL18806207 0.67
SCHEMBL21233888 0.66
SCHEMBL21234100 0.64 GRIN2B (0.38)
SCHEMBL21233891 0.62 HSD11B1 (0.36) PIK3CD
SCHEMBL25758680 0.62
SCHEMBL21233955 0.60
SCHEMBL21234117 0.60
SCHEMBL15936985 0.58 KMT2A (0.51)

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-2019152696-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed