SCHEMBL30141422

SCHEMBL30141422

NC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC2CC(OC(F)(F)F)C2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 18/20 0.40
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
RAF1 P04049 1/20 0.32

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
SCHEMBL24906349 1.00 SCN10A (0.40) SCN10AAKR1C3AKR1C2RAF1
SCHEMBL24906391 1.00 SCN10A (0.40) SCN10AAKR1C3AKR1C2RAF1
SCHEMBL24906240 0.92 SCN10A (0.41) SCN10AAKR1C3AKR1C2
SCHEMBL30141421 0.92 SCN10A (0.41) SCN10AAKR1C3AKR1C2
SCHEMBL24906239 0.92 SCN10A (0.41) SCN10AAKR1C3AKR1C2
SCHEMBL24906348 0.90 SCN10A (0.40) SCN10AAKR1C3AKR1C2
SCHEMBL24758993 0.90 AKR1C3 (0.44) SCN10AAKR1C3AKR1C2
SCHEMBL24758207 0.89 SCN10A (0.39) SCN10AAKR1C3AKR1C2
SCHEMBL24906383 0.88 SCN10A (0.43) SCN10AAKR1C3AKR1C2
SCHEMBL24757830 0.86 SCN10A (0.40) SCN10AAKR1C3AKR1C2RAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355733-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2024-04-24 EP claimed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 WO claimed