SCHEMBL21976471

SCHEMBL21976471

CC(CC1(O)CCN(C)CC1)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.33

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
SCHEMBL102264 0.79 S1PR2 (0.32) PKLR
SCHEMBL21976803 0.79 PKLR (0.32) PKLR
SCHEMBL16049726 0.74
SCHEMBL21976838 0.70 OPRM1 (0.35)
SCHEMBL20411474 0.69 ALDH1A1 (0.30)
SCHEMBL21976648 0.68 OPRM1 (0.32)
SCHEMBL21976465 0.68 OPRM1 (0.36) PKLR
SCHEMBL8372902 0.68 KMT2A (0.34)
SCHEMBL3436780 0.68 NPSR1 (0.33)
SCHEMBL10644215 0.67 NPSR1 (0.32)

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-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed