SCHEMBL19917773

SCHEMBL19917773

CC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1)Sc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.45
▸ SRC P12931 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ WNT3A P56704 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PTGES O14684 3/20 0.37
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL19917743 0.93 TRPA1 (0.45) TRPA1WNT3APTGESMEN1KMT2A
SCHEMBL19917687 0.88 TRPA1 (0.54) TRPA1SRCOPRM1OPRL1ALDH1A1
SCHEMBL19917780 0.84 TRPA1 (0.43) TRPA1SRCOPRM1OPRL1ALDH1A1
SCHEMBL16894167 0.82 TRPA1 (0.58) TRPA1SRCPTGES
SCHEMBL19917752 0.81 TRPA1 (0.41) TRPA1SRCOPRM1OPRL1ALDH1A1
SCHEMBL19917775 0.81 TRPA1 (0.44) TRPA1SRCOPRM1OPRL1WNT3A
SCHEMBL19917725 0.81 TRPA1 (0.54) TRPA1OPRM1OPRL1
SCHEMBL19917730 0.81 TRPA1 (0.44) TRPA1SRCALDH1A1
SCHEMBL19917733 0.80 TRPA1 (0.55) TRPA1SRCOPRM1OPRL1ALDH1A1
SCHEMBL19917781 0.80 TRPA1 (0.41) TRPA1SRCOPRM1OPRL1ALDH1A1

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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