SCHEMBL17008289

SCHEMBL17008289

N=[SH]1(O)CCN(c2ccc(-c3cn(-c4ccc(F)cn4)nc3C3CCC(F)CC3C(N)=O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.39
GPR119 Q8TDV5 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
SCHEMBL18892313 0.89 CTSK (0.45) CTSKGPR119
SCHEMBL17008286 0.89 CTSK (0.45) CTSKGPR119
SCHEMBL17008386 0.86 CTSK (0.57) CTSK
SCHEMBL18892468 0.86 CTSK (0.44) CTSKGPR119
SCHEMBL17008303 0.85 CTSK (0.42) CTSKGPR119
SCHEMBL17008212 0.83 CTSK (0.45) CTSKGPR119
SCHEMBL18279701 0.83 CTSK (0.45) CTSKGPR119
SCHEMBL17008214 0.81 CTSK (0.52) CTSKGPR119
SCHEMBL18279702 0.81 CTSK (0.52) CTSKGPR119
SCHEMBL17008292 0.80 CTSK (0.45) CTSKGPR119

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
WO-2015120580-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO disclosed