SCHEMBL21976020

SCHEMBL21976020

O=C(c1ccc(NCCC2=CC=CCC2Cl)cc1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 15/20 0.51
▸ AVPR1A P37288 3/20 0.43
▸ TYK2 P29597 1/20 0.41
▸ SLC6A7 Q99884 1/20 0.39

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
SCHEMBL16049804 0.81 PKLR (0.65) PKLR
SCHEMBL16083889 0.71 PKLR (0.52) PKLR
SCHEMBL16130135 0.71 PKLR (0.64) PKLRAVPR1ATYK2
SCHEMBL16049701 0.70 AVPR1A (0.58) PKLRAVPR1A
SCHEMBL21976246 0.68 PKLR (0.65) PKLRAVPR1ATYK2
SCHEMBL21976172 0.68 PKLR (0.68) PKLRAVPR1A
SCHEMBL21975976 0.68 PKLR (0.67) PKLRAVPR1ATYK2
SCHEMBL16084037 0.67 PKLR (1.00) PKLR
SCHEMBL16084068 0.67 PKLR (1.00) PKLR
SCHEMBL16049744 0.67 PKLR (1.00) PKLR

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
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