SCHEMBL8061200

SCHEMBL8061200

C=C(/C=C(/F)CC)Nc1nc(N2CCC(CNS(C)(=O)=O)(c3ccccc3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL12921404 0.82 TACR1 (0.32) TACR1HSD11B1
SCHEMBL12209652 0.80 TACR1 (0.33) TACR1
SCHEMBL12210740 0.79 KDM4E (0.33) TACR1
SCHEMBL12921406 0.79 MAPK1 (0.32) TACR1HSD11B1
SCHEMBL12209081 0.77 IRAK4 (0.32) HSD11B1
SCHEMBL12209504 0.76 HSD11B1 (0.31) HSD11B1
SCHEMBL375907 0.76 HSD11B1 (0.31) HSD11B1
SCHEMBL15976713 0.75 TACR1 (0.32) TACR1
SCHEMBL12209874 0.73 — —
SCHEMBL8060397 0.71 SLC6A4 (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-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — WO disclosed
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