SCHEMBL29641208

SCHEMBL29641208

[N-]=[N+]=N[C@H]1CN(Cc2ccccc2)[C@H]2CC[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 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
SCHEMBL16765225 1.00 SIGMAR1 (0.39) SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL16765223 1.00 SIGMAR1 (0.39) SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL21618463 0.76 MAPT (0.43) SIGMAR1
SCHEMBL29638005 0.76 SIGMAR1 (0.48) SIGMAR1
SCHEMBL29641252 0.75 SIGMAR1 (0.43) SIGMAR1
SCHEMBL16764655 0.75 SIGMAR1 (0.43) SIGMAR1
SCHEMBL16764657 0.75 SIGMAR1 (0.43) SIGMAR1
SCHEMBL15139270 0.72 FUCA1 (0.50) SIGMAR1
SCHEMBL21622343 0.72 FUCA1 (0.50) SIGMAR1
SCHEMBL15139268 0.72 FUCA1 (0.50) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-4267562-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-11-01 EP disclosed
EP-4267587-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES Gilead Sciences, Inc. (US) 2023-11-01 EP disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2022140390-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed