SCHEMBL26017341

SCHEMBL26017341

COc1cnc2[nH]c3c(c2c1)CCN(C)CC3

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD2 P14416 4/20 0.46
DRD1 P21728 4/20 0.46
DRD5 P21918 4/20 0.46
DRD3 P35462 4/20 0.46
BAZ2B Q9UIF8 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
CFTR P13569 1/20 0.35
ACHE P22303 1/20 0.35
FGFR3 P22607 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRNA7 P36544 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
SCHEMBL26017450 0.84 PRKCB (0.37) USP2CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL26017356 0.81 HTR6 (0.36) USP2CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL30340105 0.81 KDM4E (0.38) USP2CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL26017449 0.81 DRD2 (0.44) USP2CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL26017354 0.81 CHEK1 (0.37) USP2CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL24101581 0.81 KDM4E (0.38) USP2CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL24101493 0.78 CYP1A2 (0.48) USP2CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL30667640 0.77 LMNA (0.59) CYP1A2CYP2D6ALOX15HSD17B10KDM4E
SCHEMBL25512676 0.76 CYP1A2 (0.37) USP2CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL24101539 0.74 USP2 (0.33) USP2CYP1A2CYP2D6CYP2C9ALOX15

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-2023122135-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-06-29 WO disclosed