SCHEMBL24170255

SCHEMBL24170255

C[C@@H](NC=O)C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM1A O60341 1/20 0.31
EPHX1 P07099 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
SCHEMBL6066462 1.00 ADH1B (0.37) ADH1BADH1CADH1ACPN1CPB2
SCHEMBL592369 0.84
SCHEMBL8952002 0.80
SCHEMBL8952012 0.78 ADH1B (0.46) ADH1BADH1CADH1A
SCHEMBL182149 0.78 ADH1B (0.46) ADH1BADH1CADH1A
SCHEMBL3931478 0.73 SLC6A2 (0.35) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL2860796 0.71 CPN1 (0.35) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL402458 0.71 BRPF1 (0.32) ADH1BADH1CADH1A
Formic Acid SCHEMBL29135719 0.70 CPN1 (0.38) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL22233565 0.69 CPN1 (0.43) CPN1CPB2SLC6A2SLC6A4SLC6A3

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-2022000443-A1 METHODS AND COMPOSITIONS FOR TARGETING TREGS USING CCR8 INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-01-06 WO disclosed