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SCHEMBL23770801

SCHEMBL23770801

CC1(C(=O)O)CCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4C4CCC4)n3)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ RBP4 P02753 8/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ RORC P51449 1/20 0.32
▸ PROKR1 Q8TCW9 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ BTK Q06187 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ PRKCQ Q04759 1/20 0.30
▸ TTR P02766 1/20 0.30
▸ KIF18A Q8NI77 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
SCHEMBL23770721 0.98 GPBAR1 (0.33) GPBAR1RBP4HSD11B1RORCPROKR1
SCHEMBL19970213 0.92 RBP4 (0.35) RBP4HSD11B1PROKR1BTK
SCHEMBL19970104 0.92 RBP4 (0.35) RBP4HSD11B1PROKR1BTK
SCHEMBL19970080 0.92 RBP4 (0.35) RBP4HSD11B1PROKR1BTK
SCHEMBL19970020 0.90 RBP4 (0.35) RBP4HSD11B1ACACBBTK
SCHEMBL19970129 0.90 RBP4 (0.35) RBP4HSD11B1ACACBBTK
SCHEMBL23770497 0.89 RBP4 (0.35) RBP4HSD11B1ACACBPRKCAPRKCQ
SCHEMBL23770654 0.88 RORC (0.40) GPBAR1RORCBTK
SCHEMBL23770811 0.87 PROKR1 (0.36) GPBAR1RBP4PROKR1BTK
SCHEMBL23770686 0.86 RBP4 (0.35) RBP4HSD11B1

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-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 — — EP disclosed