SCHEMBL30141455

SCHEMBL30141455

CS(=O)(=O)c1ccc(F)c(NC(=O)c2c(C(F)(F)F)cnn2CC2CCC(F)(F)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.40
LMNA P02545 1/20 0.37
PTGS2 P35354 2/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TP53 P04637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PTGS1 P23219 1/20 0.35
NTRK1 P04629 1/20 0.34
GPR6 P46095 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24758261 1.00 P2RX7 (0.40) P2RX7LMNAPTGS2HDAC1HDAC2
SCHEMBL24906460 0.86 AKR1C3 (0.45) P2RX7AKR1C3AKR1C2SCN10AALDH1A1
SCHEMBL24758348 0.85 CNR1 (0.39) P2RX7AKR1C3AKR1C2CNR1CNR2
SCHEMBL24757790 0.84 AKR1C3 (0.35) P2RX7PTGS2AKR1C3AKR1C2SCN10A
SCHEMBL30141414 0.84 AKR1C3 (0.35) P2RX7PTGS2AKR1C3AKR1C2SCN10A
SCHEMBL24906210 0.83 P2RX7 (0.39) P2RX7HDAC1HDAC2AKR1C3AKR1C2
SCHEMBL30141357 0.83 SCN10A (0.43) P2RX7AKR1C3AKR1C2SCN10ACNR1
SCHEMBL24906217 0.83 SCN10A (0.43) P2RX7AKR1C3AKR1C2SCN10ACNR1
SCHEMBL24906203 0.81 P2RX7 (0.36) P2RX7PTGS2TRPV1PTGS1CNR1
SCHEMBL24906358 0.80 AKR1C3 (0.39) AKR1C3AKR1C2SCN10ACNR1CNR2

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 4 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
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