SCHEMBL21977011

SCHEMBL21977011

O=C(c1ccc(NSc2cccc3cc(F)cnc23)cc1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 19/20 0.54
▸ AVPR1A P37288 1/20 0.47

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
SCHEMBL21975972 0.87 PKLR (0.70) PKLR
SCHEMBL21976611 0.87 PKLR (0.59) PKLR
SCHEMBL21976596 0.85 PKLR (0.58) PKLR
SCHEMBL16049746 0.83 PKLR (0.78) PKLR
SCHEMBL21976622 0.82 PKLR (0.70) PKLR
SCHEMBL21976568 0.81 PKLR (0.70) PKLRAVPR1A
SCHEMBL21976225 0.80 PKLR (0.71) PKLR
SCHEMBL21976171 0.80 PKLR (0.69) PKLRAVPR1A
SCHEMBL21976594 0.79 PKLR (0.60) PKLR
SCHEMBL21976246 0.79 PKLR (0.65) PKLRAVPR1A

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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