SCHEMBL24540752

SCHEMBL24540752

CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)C(=O)NCC(F)(F)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CCR2 P41597 5/20 0.37
CETP P11597 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPA1 O75762 2/20 0.34
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
PRMT3 O60678 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 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
SCHEMBL29112530 1.00 CNR1 (0.37) CNR1CCR2CETPCYP2C9CYP2C19
SCHEMBL29112531 1.00 CNR1 (0.37) CNR1CCR2CETPCYP2C9CYP2C19
SCHEMBL29681950 0.89 ESR2 (0.36) CCR2CETPCYP2C9CYP2C19TRPA1
SCHEMBL29112299 0.89 HSD11B1 (0.34) CCR2CETPCHRM2CHRM1CHRM3
SCHEMBL24540302 0.89 HSD11B1 (0.34) CCR2CETPCHRM2CHRM1CHRM3
SCHEMBL29681851 0.89 HSD11B1 (0.34) CCR2CETPCHRM2CHRM1CHRM3
SCHEMBL29112300 0.89 HSD11B1 (0.34) CCR2CETPCHRM2CHRM1CHRM3
SCHEMBL24540608 0.87 CYP2C19 (0.38) CYP2C9CYP2C19CHRM2CHRM1CHRM3
SCHEMBL29112261 0.87 CYP2C19 (0.38) CYP2C9CYP2C19CHRM2CHRM1CHRM3
SCHEMBL29112263 0.87 CYP2C19 (0.38) CYP2C9CYP2C19CHRM2CHRM1CHRM3

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-4263493-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi (FR) 2023-10-25 EP disclosed
CN-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed
WO-2022133027-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-06-23 WO disclosed
WO-2022133027-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-06-23 WO disclosed