SCHEMBL22529596

SCHEMBL22529596

C[C@@H](N)COc1ccc2nc3cc(OCC4CC4)ccc3nc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.42
PDE4A P27815 1/20 0.39
PDE4D Q08499 1/20 0.39
PARP15 Q460N3 2/20 0.39
PARP10 Q53GL7 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
PARP2 Q9UGN5 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
SCHEMBL22529599 1.00 ACACB (0.42) ACACBPDE4APDE4DPARP15PARP10
SCHEMBL16612737 0.80 MEN1 (0.39) ACACBPARP15PARP10SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9111977 0.79 MEN1 (0.39) ACACBPARP15PARP10SLC6A2SLC6A4
SCHEMBL22546227 0.79 PDE4A (0.49) PDE4APDE4DPARP15PARP10SLC6A2
SCHEMBL22529648 0.77 CYP2C9 (0.47) PARP15PARP10SLC6A2SLC6A4HTR3A
SCHEMBL9113516 0.76 ACACB (0.40) ACACBPARP15PARP10
SCHEMBL22546439 0.76 PDE4A (0.44) PDE4APDE4DPARP15PARP10SLC6A2
SCHEMBL22546277 0.74 LMNA (0.50) PDE4APDE4D
SCHEMBL19849057 0.73 ACACA (0.54) ACACB
SCHEMBL2551529 0.72 ACACB (0.43) ACACB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020207611-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO claimed
WO-2020207570-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO claimed
WO-2020207570-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed
WO-2020207611-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed
WO-2020207611-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed