SCHEMBL29063243

SCHEMBL29063243

O=C(Cl)OCC1CCC(F)(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.36
NAAA Q02083 1/20 0.35
ASAH1 Q13510 1/20 0.35
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
SCN5A Q14524 3/20 0.34
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.30
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 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
SCHEMBL2265196 0.81 LMNA (0.41) LMNASLC1A3SLC1A2SLC1A1
SCHEMBL2966870 0.81
SCHEMBL5968099 0.81 SCN9A (0.36) SCN9ANAAAASAH1KDM5AKDM4C
SCHEMBL25846419 0.81 SCN9A (0.36) SCN9ANAAAASAH1KDM5AKDM4C
SCHEMBL30937187 0.81 LMNA (0.33) SCN9ALMNASLC1A3SLC1A2SLC1A1
SCHEMBL3677140 0.77 LMNA (0.52) LMNASLC1A3SLC1A2SLC1A1
SCHEMBL2590590 0.77
SCHEMBL24112751 0.77 PSEN1 (0.44) SCN9ANAAAASAH1KDM5AKDM4C
SCHEMBL11751290 0.75 LMNA (0.55) NAAALMNASLC1A3SLC1A2SLC1A1
SCHEMBL2937173 0.75 LMNA (0.55) NAAALMNASLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 EP disclosed