SCHEMBL17226166

SCHEMBL17226166

C[C@H]1CC[C@@H](C(N)=O)N1C(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.31
PHGDH O43175 1/20 0.31
HSD11B1 P28845 1/20 0.30
CFD P00746 2/20 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
SCHEMBL20204151 0.75 RECQL (0.48) RECQLHSD11B1
SCHEMBL26348654 0.74 RECQL (0.32) RECQLPHGDH
SCHEMBL14899511 0.74
SCHEMBL649369 0.72 CHRM2 (0.46) RECQLHSD11B1
SCHEMBL21442076 0.72 CHRM2 (0.46) RECQLHSD11B1
SCHEMBL6205600 0.71 ALDH1A1 (0.42) RECQLPHGDHHSD11B1
SCHEMBL647647 0.71 ALDH1A1 (0.42) RECQLPHGDHHSD11B1
SCHEMBL648430 0.71
SCHEMBL28209715 0.71 EPHX1 (0.34)
Hydrochloric Acid SCHEMBL28210173 0.69 EPHX1 (0.33)

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
EP-2272825-B1 Protected amino hydroxy adamantane carboxylic acid and process for its preparation ASTRAZENECA AB (SE) 2015-11-04 EP disclosed