SCHEMBL30368570

SCHEMBL30368570

CN(C)C(=O)C(=O)c1c[nH]c2nccc(OCc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.46
CYP2D6 P10635 1/20 0.44
BRD4 O60885 2/20 0.43
MAP3K7 O43318 2/20 0.42
TAB1 Q15750 2/20 0.42
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
SGMS2 Q8NHU3 2/20 0.42
ADORA2A P29274 1/20 0.40
HTR2A P28223 1/20 0.39
PPIA P62937 1/20 0.39
BTK Q06187 1/20 0.39
IGF1R P08069 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12558840 0.82 HTR2A (0.57) BRD4HTR2AMAPTCYP2C9CYP2C19
SCHEMBL27189618 0.80 MAPT (0.44) LRRK2BRD4HTR2AMAPTCYP2C9
SCHEMBL27189571 0.79 TDP1 (0.40) LRRK2BRD4HTR2AMAPTCYP2C9
SCHEMBL27189552 0.77 SMN1; SMN2 (0.41) LRRK2BRD4JAK2JAK3HTR2A
SCHEMBL27189551 0.76 SMN1; SMN2 (0.40) LRRK2BRD4HTR2AIGF1RMAPT
SCHEMBL27189543 0.76 HTR2A (0.41) LRRK2BRD4HTR2AMAPTCYP2C9
SCHEMBL24499146 0.75 LTB4R (0.42) LRRK2BRD4PPIA
SCHEMBL29832165 0.75 LTB4R (0.42) LRRK2BRD4PPIA
SCHEMBL27189560 0.75 PTPN1 (0.39) LRRK2BRD4HTR2ABTKMAPT
SCHEMBL29360919 0.75 HTR2A (0.55) BRD4HTR2AMAPTCYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4440573-A1 NOVEL AZA-SUBSTITUTED PSILOCIN ANALOGS AND METHODS OF SYNTHESIZING THE SAME Mydecine Innovations Group Inc. (US) 2024-10-09 EP disclosed
WO-2023101722-A1 NOVEL AZA-SUBSTITUTED PSILOCIN ANALOGS AND METHODS OF SYNTHESIZING THE SAME MEDECINE INNOVATIONS GROUP INC. (US) 2023-06-08 WO disclosed