SCHEMBL28516379

SCHEMBL28516379

C=CC[C@@]1(C(=O)O)CCCN1.O=C(O)CNC1CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL1360118 0.83 ARG1 (0.49) ARG1ARG2
SCHEMBL1360119 0.83 ARG1 (0.49) ARG1ARG2
Hydrochloric Acid SCHEMBL30382824 0.82 ARG1 (0.47) ARG1ARG2
Hydrochloric Acid SCHEMBL4684924 0.82 ARG1 (0.47) ARG1ARG2
Ethylene Glycol SCHEMBL28530734 0.79 ARG1 (0.45) ARG1ARG2
SCHEMBL21645480 0.77 ARG1 (0.43) ARG1ARG2
SCHEMBL8190743 0.70 ARG1 (0.36) ARG1ARG2
SCHEMBL12764363 0.70 ARG1 (0.36) ARG1ARG2
Hydrochloric Acid SCHEMBL1359302 0.69 ARG1 (0.35) ARG1ARG2
SCHEMBL4606477 0.68 DPP4 (0.40) ITGB3ITGA2B

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
CN-112423774-A Therapeutic compositions and methods of use for treating mild cognitive impairment, depression and psychological disorders L·H·L·特兰 2021-02-26 CN claimed