SCHEMBL29084657

SCHEMBL29084657

CCCCCC(N)NCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
SPHK1 Q9NYA1 2/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
TP53 P04637 2/20 0.35
LAP3 P28838 2/20 0.35
CYP2D6 P10635 2/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3647863 0.78 OPRM1 (0.50) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL18315356 0.76 OPRM1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL10457082 0.76 OPRM1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL10698569 0.76 OPRM1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL20875301 0.76 OPRM1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL27524139 0.75 ZDHHC7 (0.36) OPRM1ZDHHC7PLA2G2ALMNACYP3A4
SCHEMBL775011 0.75 OPRM1 (0.39) OPRM1SPHK1ZDHHC7TP53LAP3
SCHEMBL9163909 0.74 OPRM1 (0.46) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL28542120 0.74 OPRM1 (0.46) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL28985254 0.74 OPRM1 (0.46) OPRM1SPHK1TP53LAP3CYP2D6

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
CN-116830036-A Two-component system 西托斯股份公司 2023-09-29 CN disclosed