SCHEMBL29922364

SCHEMBL29922364

O=C1OC2(CCOCC2)c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.43
AVPR1A P37288 2/20 0.40
KMT2A Q03164 1/20 0.38
AKR1A1 P14550 2/20 0.37
AKR1B1 P15121 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
AKR1B10 O60218 1/20 0.37
MAPT P10636 1/20 0.37
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL22057308 0.83 NPY5R (0.45) NPY5RAVPR1AAKR1A1AKR1B1SIGMAR1
Hydrochloric Acid SCHEMBL6820680 0.82 NPY5R (0.44) NPY5RAVPR1AAKR1A1AKR1B1SIGMAR1
SCHEMBL29922416 0.81 POLB (0.40) AVPR1AKMT2ASIGMAR1MAPT
SCHEMBL4367569 0.81 AVPR1A (0.48) NPY5RAVPR1AAKR1B1SIGMAR1
SCHEMBL18854250 0.78 SIGMAR1 (0.55) NPY5RAVPR1ASIGMAR1
SCHEMBL4372121 0.77 NPY5R (0.46) NPY5RAVPR1ASIGMAR1
SCHEMBL29922152 0.76 CA1 (0.38) AVPR1ASIGMAR1
SCHEMBL2361177 0.74 SIGMAR1 (0.73) SIGMAR1
SCHEMBL6270334 0.74 SLC6A4 (0.46) NPY5RAVPR1AKMT2A
SCHEMBL31394077 0.72 AVPR1A (0.51) NPY5RAVPR1ASIGMAR1MAPTMALT1

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-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed