SCHEMBL31663053

SCHEMBL31663053

O=Cc1cccc(-c2cn[nH]c2)c1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.39
ROCK1 Q13464 8/20 0.39
PDK2 Q15119 1/20 0.37
DRD1 P21728 1/20 0.37
ERN1 O75460 1/20 0.36
GRK2 P25098 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
FEN1 P39748 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
SCHEMBL1956753 0.78 AKT2 (0.50) ROCK2ROCK1PDK2ERN1AKT1
SCHEMBL31662985 0.76 IDO1 (0.40) DRD1
SCHEMBL31190896 0.76 PDK2 (0.41) ROCK2ROCK1PDK2DRD1ERN1
SCHEMBL5083611 0.71 DRD1 (0.47) DRD1ERN1
SCHEMBL16793384 0.70 ERN1 (0.48) DRD1ERN1
SCHEMBL18124516 0.68 TSHR (0.48) DRD1ERN1
SCHEMBL3927888 0.68 CA1 (0.61) DRD1ERN1
SCHEMBL4132573 0.67 SRC (0.58) DRD1ERN1
SCHEMBL3273244 0.65 CA1 (0.40) DRD1
SCHEMBL24802714 0.64 TDP1 (0.44) ROCK2ROCK1ERN1AKT2

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-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 WO disclosed