SCHEMBL28458446

SCHEMBL28458446

O=C(OC(=O)[C@H]1CCCCN1NOCc1ccccc1)C(=O)OC(=O)[C@H]1CCCCN1NOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 16/20 0.52
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL28450790 0.87 FKBP1A (0.50) FKBP1ASIGMAR1
SCHEMBL28989843 0.87 FKBP1A (0.50) FKBP1ASIGMAR1
SCHEMBL28450788 0.87 FKBP1A (0.50) FKBP1ASIGMAR1
Hydrochloric Acid SCHEMBL29157417 0.86 FKBP1A (0.49) FKBP1ASIGMAR1
SCHEMBL28456850 0.85 FKBP1A (0.56) FKBP1APOLB
SCHEMBL28456852 0.85 FKBP1A (0.56) FKBP1APOLB
Oxalic Acid SCHEMBL28458447 0.85 FKBP1A (0.48) FKBP1APOLB
SCHEMBL28503426 0.85 SPHK1 (0.48) FKBP1ASIGMAR1
SCHEMBL28456592 0.85 SPHK1 (0.48) FKBP1ASIGMAR1
Hydrochloric Acid SCHEMBL30719917 0.84 FKBP1A (0.55) FKBP1APOLB

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-107941944-B Detection method of (2S,5R) -benzyloxyaminopiperidine-2-ethyl formate oxalate 中山奕安泰医药科技有限公司 2020-09-15 CN disclosed