SCHEMBL19917655

SCHEMBL19917655

CCN(CC(=O)NCc1cc(F)cc(-c2ccc(C(F)(F)F)cc2)c1)Sc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ TRPA1 O75762 2/20 0.39
▸ TACR1 P25103 2/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ BACE2 Q9Y5Z0 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL19917729 0.91 LMNA (0.48) LMNABACE1BACE2OPRM1OPRL1
SCHEMBL19917734 0.90 MAPT (0.41) LMNATRPA1TACR1RAB9ARXRA
SCHEMBL19917670 0.86 TRPA1 (0.44) LMNATRPA1TACR1CCR2BACE1
SCHEMBL19917689 0.85 LMNA (0.41) LMNATRPA1OPRM1OPRL1NPC1
SCHEMBL19917776 0.85 TRPA1 (0.45) LMNATRPA1PPARAPPARD
SCHEMBL19917767 0.84 BACE1 (0.54) LMNATRPA1BACE1BACE2OPRM1
SCHEMBL16894244 0.80 TRPA1 (0.56) TRPA1POLBALDH1A1
SCHEMBL19917781 0.79 TRPA1 (0.41) LMNATRPA1OPRM1OPRL1ALDH1A1
SCHEMBL19917653 0.79 TRPA1 (0.38) TRPA1TACR1CCR2BACE1BACE2
SCHEMBL19917761 0.79 LMNA (0.53) LMNABACE1BACE2OPRM1OPRL1

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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