SCHEMBL31469747

SCHEMBL31469747

OC1([C@H](c2ccc(Cl)cn2)C(F)(F)F)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
TRPA1 O75762 1/20 0.36
PDK2 Q15119 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL31469731 1.00 DRD2 (0.39) DRD2TRPA1PDK2SLC6A2SLC6A4
SCHEMBL31469743 0.81 DRD2 (0.39) DRD2TRPA1PDK2SLC6A2SLC6A4
SCHEMBL31469749 0.79 DRD2 (0.41) DRD2SLC6A2SLC6A4AKT1AKT2
SCHEMBL31282925 0.79 DRD2 (0.41) DRD2SLC6A2SLC6A4AKT1AKT2
SCHEMBL31469759 0.79 DRD2 (0.41) DRD2SLC6A2SLC6A4AKT1AKT2
SCHEMBL25389094 0.79 DRD2 (0.41) DRD2SLC6A2SLC6A4AKT1AKT2
SCHEMBL25389095 0.79 DRD2 (0.41) DRD2SLC6A2SLC6A4AKT1AKT2
SCHEMBL31469756 0.76 DRD2 (0.39) DRD2TRPA1SLC6A2SLC6A4AKT1
SCHEMBL31469774 0.76 DRD2 (0.39) DRD2TRPA1SLC6A2SLC6A4AKT1
SCHEMBL31469806 0.76 SLC6A2 (0.39) DRD2SLC6A2SLC6A4

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-2025030002-A2 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2025-02-06 WO disclosed