SCHEMBL29977913

SCHEMBL29977913

C=C1CCNC(CCCCl)(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.36
ARG2 P78540 2/20 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
SCHEMBL29976608 0.74
SCHEMBL25331176 0.65 ARG1 (0.32) ARG1ARG2
SCHEMBL25330920 0.65 ARG1 (0.32) ARG1ARG2
SCHEMBL29974335 0.62 ARG2 (0.49) ARG1ARG2
SCHEMBL22208186 0.62 ARG2 (0.49) ARG1ARG2
SCHEMBL29930292 0.62 ARG2 (0.49) ARG1ARG2
SCHEMBL22208201 0.59 ARG1 (0.44) ARG1ARG2
SCHEMBL15664945 0.56 ARG2 (0.64) ARG1ARG2
SCHEMBL14265250 0.55 ARG1 (0.54) ARG1ARG2
SCHEMBL29714506 0.55 ARG2 (0.50) ARG1ARG2

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-2022228568-A1 PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 劲方医药科技(上海)有限公司 2022-11-03 WO disclosed