SCHEMBL8313368

SCHEMBL8313368

Cc1cnc(C(F)(F)CCC(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL8313877 0.85 KCNH2 (0.34) KCNH2GRIN2B
SCHEMBL8313325 0.82 KCNH2 (0.35) KCNH2GRIN2B
SCHEMBL17583116 0.78 KCNH2 (0.35) KCNH2GRIN2B
SCHEMBL12296398 0.74 TRPV4 (0.43) KCNH2GRIN2B
SCHEMBL17342897 0.73 VNN1 (0.33) KCNH2GRIN2B
SCHEMBL26800901 0.71 TRPV4 (0.35)
SCHEMBL3658981 0.70
SCHEMBL17583170 0.68 CA2 (0.35) KCNH2GRIN2B
SCHEMBL7599416 0.68 VNN1 (0.31)
SCHEMBL3658978 0.67 AR (0.35)

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-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed