SCHEMBL13614831

SCHEMBL13614831

CCN(C)CC(=O)NCCO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.40
ALDH1A1 P00352 4/20 0.40
NAAA Q02083 1/20 0.37
DNM1 Q05193 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BLM P54132 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
SELP P16109 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
FAAH O00519 1/20 0.37
KCNK3 O14649 1/20 0.37
CNR2 P34972 1/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL12565683 0.89 MEN1 (0.39) CNR1ALDH1A1NAAADNM1MEN1
SCHEMBL4578116 0.83 MEN1 (0.37) ALDH1A1DNM1MEN1KMT2A
SCHEMBL8956908 0.82 MEN1 (0.37) DNM1MEN1KMT2A
SCHEMBL4578248 0.81 ALDH1A1 (0.41) CNR1ALDH1A1NAAAMEN1KMT2A
SCHEMBL5034969 0.80 MCL1 (0.41) ALDH1A1MEN1KMT2AFAAH
SCHEMBL1569983 0.80 DNM1 (0.40) CNR1ALDH1A1NAAADNM1MEN1
SCHEMBL9547143 0.79 DNM1 (0.34) CNR1ALDH1A1NAAADNM1MEN1
Hydrochloric Acid SCHEMBL7583332 0.78 DNM1 (0.39) CNR1ALDH1A1NAAADNM1MEN1
SCHEMBL25381115 0.76 CNR1 (0.38) CNR1ALDH1A1NAAAMEN1KMT2A
SCHEMBL26838432 0.76 MCL1 (0.48) CNR1NAAADNM1MEN1KMT2A

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
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed