SCHEMBL24465375

SCHEMBL24465375

CC1(c2cccc(C(=O)N(N)S(=O)(=O)C(F)(F)F)c2)CO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.36
OPRL1 P41146 2/20 0.36
LMNA P02545 1/20 0.34
BACE1 P56817 3/20 0.31
APP P05067 2/20 0.30
CTSD P07339 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 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
SCHEMBL24465320 0.83 OPRM1 (0.33) OPRM1OPRL1
SCHEMBL24465376 0.73 PARP1 (0.55)
SCHEMBL8042370 0.73 CES1 (0.42)
SCHEMBL1499359 0.67 CHRNB2 (0.38) BACE1CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL24465421 0.67 ESPL1 (0.34) LMNA
SCHEMBL361976 0.66 CHRNB2 (0.39) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL24465368 0.64 PARP1 (0.36)
SCHEMBL5698966 0.64 KDM1A (0.51) OPRM1OPRL1LMNASLC6A2SLC6A4
SCHEMBL24465322 0.61 SCN5A (0.36)
SCHEMBL8514208 0.60 BACE1 (0.58) BACE1APPCTSD

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
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed