SCHEMBL30141508

SCHEMBL30141508

Cc1c(C(F)(F)F)nn(CC2CCC(F)(F)C2)c1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 2/20 0.31
NR1H4 Q96RI1 2/20 0.31
IRAK4 Q9NWZ3 4/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
IDH1 O75874 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL24757255 0.93 RXRA (0.34) LMNANR1H4RXRARXRBRXRG
SCHEMBL27243066 0.92 CHRM2 (0.31) CHRM2CHRM1CHRM3NR1H4RXRA
SCHEMBL27243076 0.92 CHRM2 (0.31) CHRM2CHRM1CHRM3NR1H4RXRA
SCHEMBL24757758 0.92 CHRM2 (0.31) CHRM2CHRM1CHRM3NR1H4RXRA
SCHEMBL24906286 0.88 KDM4E (0.34) CHRM2CHRM1CHRM3LMNATSHR
SCHEMBL30141501 0.87 KDM4E (0.36) LMNATSHRIDH1KDM4E
SCHEMBL24906271 0.85 GAA (0.32) LMNA
SCHEMBL30975999 0.85 RXRA (0.33) NR1H4RXRARXRBRXRG
SCHEMBL24758133 0.84 CHRM2 (0.31) CHRM2CHRM1CHRM3
SCHEMBL24906247 0.84 CRHR1 (0.31)

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