SCHEMBL25429337

SCHEMBL25429337

O=C(O)N1CCC(c2ccc(O)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.40
MGLL Q99685 6/20 0.40
RBP4 P02753 2/20 0.40
PARP10 Q53GL7 1/20 0.39
OPRL1 P41146 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 2/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR2 P41597 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL19097407 0.85 TDP1 (0.49) SLC9A1MGLL
SCHEMBL1983988 0.84 TYR (0.44) SLC9A1MGLLRBP4MAPTBLM
SCHEMBL7985253 0.84 PARP10 (0.41) SLC9A1RBP4PARP10OPRL1NPC1
SCHEMBL23291680 0.84 KDM1A (0.43) RBP4PARP10OPRL1NPC1L3MBTL1
SCHEMBL31140149 0.84 PARP10 (0.41) SLC9A1RBP4PARP10OPRL1NPC1
SCHEMBL19097420 0.82 MAPT (0.41) SLC9A1MGLLRBP4OPRL1NPC1
SCHEMBL1529148 0.80 CPS1 (0.52) SLC9A1PARP10
SCHEMBL23054406 0.80 CHRNB2 (0.41) OPRL1
SCHEMBL30386925 0.80 CHRNB2 (0.41) OPRL1
SCHEMBL21937098 0.80 GPR119 (0.57) MAPT

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-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed