SCHEMBL25866605

SCHEMBL25866605

CCOCC(C)(C)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ PPID Q08752 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ THRB P10828 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
SCHEMBL6891746 0.79 RIPK1 (0.50) CYP2D6LMNARIPK1CYP3A4MAPT
SCHEMBL20163215 0.77 RIPK1 (0.49) CYP2D6LMNARIPK1CYP3A4MAPT
SCHEMBL11751773 0.77 CYP2D6 (0.48) CYP2D6LMNARIPK1CYP3A4MAPT
SCHEMBL19963515 0.77 CYP2D6 (0.48) CYP2D6LMNARIPK1CYP3A4MAPT
SCHEMBL21790795 0.76 CYP2D6 (0.44) CYP2D6LMNARIPK1CYP3A4MAPT
SCHEMBL11818840 0.75 LMNA (0.63) CYP2D6LMNARIPK1CYP3A4MAPT
SCHEMBL7316409 0.73 IDO1 (0.46) CYP2D6LMNARIPK1CYP3A4MAPT
SCHEMBL9858066 0.73 POLB (0.46) CYP2D6LMNARIPK1CYP3A4MAPT
SCHEMBL6098836 0.73 CYP3A4 (0.46) CYP2D6LMNARIPK1CYP3A4MAPT
SCHEMBL3631502 0.73 HTT (0.61) CYP2D6LMNARIPK1CYP3A4MAPT

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-2023141225-A1 FUSED HETEROCYCLES AS 5-HT2A RECEPTOR AGONISTS ONSERO THERAPEUTICS INC. (US) 2023-07-27 — — WO disclosed
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