SCHEMBL31438427

SCHEMBL31438427

Cc1sc(Nc2cc(F)cc(F)c2)nc1C(=O)N[C@H]1CCC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 2/20 0.36
▸ TRPC3 Q13507 5/20 0.34
▸ TRPC6 Q9Y210 5/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ CHRNA7 P36544 4/20 0.33
▸ HTR3A P46098 3/20 0.33
▸ HDAC3 O15379 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ PARP14 Q460N5 3/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31

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
SCHEMBL31438386 1.00 TNIK (0.36) TNIKTRPC3TRPC6TRPA1CACNA1C
SCHEMBL31438351 0.92 TRPC3 (0.34) TNIKTRPC3TRPC6TRPA1CACNA1C
SCHEMBL31438392 0.92 TRPC3 (0.34) TNIKTRPC3TRPC6TRPA1CACNA1C
SCHEMBL21995259 0.92 TRPC3 (0.34) TNIKTRPC3TRPC6TRPA1CACNA1C
SCHEMBL31438371 0.88 TRPC3 (0.35) TNIKTRPC3TRPC6TRPA1CACNA1C
SCHEMBL31438348 0.88 TRPC3 (0.35) TNIKTRPC3TRPC6TRPA1CACNA1C
SCHEMBL19685092 0.88 TRPC3 (0.35) TNIKTRPC3TRPC6TRPA1CACNA1C
SCHEMBL19685084 0.88 TRPC3 (0.35) TNIKTRPC3TRPC6TRPA1CACNA1C
SCHEMBL31438354 0.88 TRPC3 (0.35) TNIKTRPC3TRPC6TRPA1CACNA1C
SCHEMBL19668004 0.86 SCN9A (0.36) TNIKTRPC3TRPC6TRPA1CACNA1C

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-2025056767-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ALIPHATIC AMINES SYNGENTA CROP PROTECTION AG (CH) 2025-03-20 — — WO disclosed
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