SCHEMBL11292072

SCHEMBL11292072

CCCCCCCCCCCCCCCCCC(N)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
SPHK1 Q9NYA1 2/20 0.35
CYP2D6 P10635 2/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33
HTT P42858 1/20 0.33
UBE2N P61088 1/20 0.33
LAP3 P28838 1/20 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
SCHEMBL10605777 0.98 OPRM1 (0.38) OPRM1SPHK1CYP2D6PLA2G1BPLA2G2A
SCHEMBL4870521 0.93 OPRM1 (0.30) OPRM1
SCHEMBL11017637 0.86
SCHEMBL668803 0.86
SCHEMBL893351 0.86
SCHEMBL693115 0.85
SCHEMBL10621098 0.82 LMNA (0.32) OPRM1LMNA
SCHEMBL30459496 0.82 LMNA (0.32) OPRM1LMNA
SCHEMBL9357426 0.78
SCHEMBL11235198 0.78

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-0044499-A1 Triazinylaminotriazines, their preparation, their use in stabilising synthetic polymers and products realised with them HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-27 EP disclosed