SCHEMBL31411596

SCHEMBL31411596

OCC1CN(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.48
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NOTUM Q6P988 1/20 0.43
DRD4 P21917 1/20 0.42
CYP2D6 P10635 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
PHGDH O43175 1/20 0.40
MGLL Q99685 1/20 0.40
CHRNA7 P36544 1/20 0.39
LMNA P02545 2/20 0.39
SLC18A3 Q16572 1/20 0.39
GBA1 P04062 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
SCHEMBL720691 0.84 NOTUM (0.54) BPTFHTR3EHTR3BADRB1HTR3A
SCHEMBL21135447 0.81 CYP2D6 (0.52) NOTUMCYP2D6MAPT
SCHEMBL6648521 0.81 CYP2D6 (0.52) NOTUMCYP2D6MAPT
SCHEMBL21135739 0.81 CYP2D6 (0.52) NOTUMCYP2D6MAPT
SCHEMBL987932 0.79 MBTD1 (0.52) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL23983401 0.79 MAPT (0.44) ADRA2CLMNAGBA1MAPTNPSR1
SCHEMBL21135737 0.79 NOTUM (0.45) NOTUMDRD4LMNAMAPTNPSR1
SCHEMBL21877146 0.79 LTA4H (0.40) DRD4CYP2D6MGLLMAPT
SCHEMBL23602982 0.79 SLC6A2 (0.38) DRD4MAPTNPSR1
SCHEMBL25141511 0.79 USP2 (0.51) LMNAMAPT

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-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed