SCHEMBL30141543

SCHEMBL30141543

COC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(OC(C)C)nn2CC2CCC(F)(F)C2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.40
MALT1 Q9UDY8 1/20 0.37
SCN10A Q9Y5Y9 11/20 0.37
AR P10275 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
CNR1 P21554 1/20 0.35
P2RX3 P56373 2/20 0.33
NTRK1 P04629 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
SCHEMBL24758320 1.00 ANO1 (0.40) ANO1MALT1SCN10AARAKR1C3
SCHEMBL30141341 0.93 SCN10A (0.41) ANO1SCN10AAKR1C3AKR1C2
SCHEMBL30141527 0.93 SCN10A (0.42) ANO1SCN10AAKR1C3AKR1C2RAF1
SCHEMBL24758318 0.93 SCN10A (0.41) ANO1SCN10AAKR1C3AKR1C2
SCHEMBL24758323 0.93 SCN10A (0.42) ANO1SCN10AAKR1C3AKR1C2RAF1
SCHEMBL24906226 0.88 SCN10A (0.40) ANO1SCN10AAKR1C3AKR1C2
SCHEMBL30141502 0.88 SCN10A (0.40) ANO1SCN10AAKR1C3AKR1C2
SCHEMBL24757846 0.88 SCN10A (0.40) ANO1SCN10AAKR1C3AKR1C2
SCHEMBL24906215 0.88 SCN10A (0.42) ANO1SCN10A
SCHEMBL30141433 0.88 SCN10A (0.42) ANO1SCN10A

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 disclosed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 WO disclosed