SCHEMBL30141427

SCHEMBL30141427

Cc1nn(CC2CCC(F)(F)C2)c(C(=O)Nc2cncc(C(N)=O)c2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.39
DDR1 Q08345 2/20 0.38
DDR2 Q16832 2/20 0.38
EPHB2 P29323 1/20 0.38
NR3C1 P04150 3/20 0.35
ACKR3 P25106 4/20 0.34
HIF1A Q16665 1/20 0.34
PRMT5 O14744 3/20 0.33
NTRK1 P04629 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HTR1F P30939 1/20 0.33
IRAK4 Q9NWZ3 2/20 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
SCHEMBL24758422 1.00 SCN10A (0.39) SCN10ADDR1DDR2EPHB2NR3C1
SCHEMBL24906294 1.00 SCN10A (0.39) SCN10ADDR1DDR2EPHB2NR3C1
SCHEMBL24906533 0.84 SCN10A (0.43) SCN10ANR3C1AKR1C3AKR1C2
SCHEMBL24759017 0.83 AKR1C3 (0.45) DDR1DDR2EPHB2NR3C1ACKR3
SCHEMBL30107027 0.83 AKR1C3 (0.45) DDR1DDR2EPHB2NR3C1ACKR3
SCHEMBL30107028 0.83 NR3C1 (0.38) NR3C1AKR1C3AKR1C2
SCHEMBL24758290 0.83 NR3C1 (0.38) NR3C1AKR1C3AKR1C2
SCHEMBL30141370 0.82 CRHR1 (0.41) NR3C1AKR1C3AKR1C2
SCHEMBL24906387 0.82 CRHR1 (0.41) NR3C1AKR1C3AKR1C2
SCHEMBL24758421 0.81 SCN10A (0.42) SCN10ANR3C1AKR1C3AKR1C2

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