SCHEMBL16865200

SCHEMBL16865200

CC1CC1(C#N)C(=O)N1CCN(C(=O)C2(C#N)CC2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.39
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 1/20 0.33
MAPT P10636 1/20 0.33
TGM2 P21980 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NAMPT P43490 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
GRM1 Q13255 1/20 0.32
RIPK1 Q13546 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
SCHEMBL4645147 0.74
SCHEMBL24868147 0.74
SCHEMBL19240422 0.69 MITF (0.31) LMNA
SCHEMBL16865154 0.67 ALDH1A1 (0.32)
SCHEMBL16865194 0.66 RET (0.34) HSD11B1GRM5RIPK1
SCHEMBL5435193 0.65 ALDH1A1 (0.36) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10073885 0.65 CTSK (0.33) MAPTMEN1KMT2A
SCHEMBL14435631 0.65 ALDH1A1 (0.36) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL22875368 0.64 ALDH1A1 (0.42) GRM5MEN1KMT2ALMNA
SCHEMBL16865199 0.64 NPSR1 (0.30)

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-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed