Sugi Predict

Sugi Predict / Compounds / SCHEMBL24008596

SCHEMBL24008596

SCHEMBL24008596

OC1CCN(CCCC2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ KCNA3 P22001 1/20 0.41
▸ SLC18A3 Q16572 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ BMP1 P13497 1/20 0.38

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
SCHEMBL24008480 0.88 KCNA3 (0.43) HRH3ACHESIGMAR1CYP1A2KCNA3
SCHEMBL30115019 0.84 HRH3 (0.54) HRH3SIGMAR1CYP1A2
SCHEMBL30115021 0.84 HRH3 (0.54) HRH3SIGMAR1CYP1A2
SCHEMBL5467402 0.84 CYP1A2 (0.48) HRH3SIGMAR1CYP1A2
SCHEMBL11841456 0.79 SIGMAR1 (0.50) HRH3SIGMAR1CYP1A2
SCHEMBL12359572 0.78 SIGMAR1 (0.50) HRH3SIGMAR1CYP1A2
SCHEMBL12130736 0.78 HRH3 (0.58) HRH3SIGMAR1CYP1A2
SCHEMBL6047958 0.77 CYP1A2 (0.50) HRH3SIGMAR1CYP1A2
SCHEMBL2769012 0.77 RAD52 (0.51) SIGMAR1CYP1A2
SCHEMBL30115022 0.77 HSD11B1 (0.54) SIGMAR1CYP1A2

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-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 — — WO disclosed