SCHEMBL29681997

SCHEMBL29681997

Cc1ccccc1CCNC(=O)[C@]1(O)C[C@H](C)CC[C@H]1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TP53 P04637 4/20 0.41
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL29112427 1.00 MAPT (0.41) MAPTTP53NPC1MEN1ALOX12
SCHEMBL24540384 1.00 MAPT (0.41) MAPTTP53NPC1MEN1ALOX12
SCHEMBL29112240 0.90 ADAM17 (0.37) MEN1KMT2AGAA
SCHEMBL29112479 0.90 ADAM17 (0.37) MEN1KMT2AGAA
SCHEMBL24540366 0.90 ADAM17 (0.37) MEN1KMT2AGAA
SCHEMBL29681957 0.90 ADAM17 (0.37) MEN1KMT2AGAA
SCHEMBL24540815 0.89 MTNR1A (0.33) MAPTTP53MEN1KMT2AGAA
SCHEMBL24540492 0.89 MTNR1A (0.34) MAPTTP53MEN1KMT2AGAA
SCHEMBL29682221 0.89 MTNR1A (0.34) MAPTTP53MEN1KMT2AGAA
SCHEMBL29112363 0.89 MTNR1A (0.34) MAPTTP53MEN1KMT2AGAA

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 3 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