SCHEMBL19917775

SCHEMBL19917775

CC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1)[S+]([O-])c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.44
▸ SRC P12931 2/20 0.39
▸ PTGES O14684 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ WNT3A P56704 2/20 0.36
▸ RORC P51449 1/20 0.35

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
SCHEMBL19917744 0.93 TRPA1 (0.45) TRPA1PTGES
SCHEMBL19917686 0.88 TRPA1 (0.53) TRPA1SRCOPRM1OPRL1RORC
SCHEMBL19917779 0.85 TRPA1 (0.43) TRPA1SRCOPRM1OPRL1RORC
SCHEMBL19917751 0.83 TRPA1 (0.42) TRPA1SRCPTGESWNT3A
SCHEMBL19917728 0.81 TRPA1 (0.46) TRPA1SRCPTGES
SCHEMBL19917773 0.81 TRPA1 (0.45) TRPA1SRCPTGESOPRM1OPRL1
SCHEMBL19917724 0.81 TRPA1 (0.55) TRPA1
SCHEMBL16894167 0.81 TRPA1 (0.58) TRPA1SRCPTGESHPGDSRORC
SCHEMBL16964298 0.81 TRPA1 (0.40) TRPA1SRCPTGES
SCHEMBL19917732 0.81 TRPA1 (0.54) TRPA1SRCOPRM1OPRL1RORC

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-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
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