SCHEMBL29112240

SCHEMBL29112240

CC1CCC(C(C)C)C(O)(C(=O)NCCc2ccccc2O)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.37
MPO P05164 3/20 0.35
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
P2RX4 Q99571 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
CREBBP Q92793 1/20 0.33
GAA P10253 1/20 0.33
ESRRG P62508 1/20 0.33
MTNR1A P48039 1/20 0.33
AKR1B1 P15121 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL24540366 1.00 ADAM17 (0.37) ADAM17MPOHRH3MEN1KMT2A
SCHEMBL29112479 1.00 ADAM17 (0.37) ADAM17MPOHRH3MEN1KMT2A
SCHEMBL29681957 1.00 ADAM17 (0.37) ADAM17MPOHRH3MEN1KMT2A
SCHEMBL29112363 0.92 MTNR1A (0.34) MEN1KMT2AGAAMTNR1ACTSB
SCHEMBL24540492 0.92 MTNR1A (0.34) MEN1KMT2AGAAMTNR1ACTSB
SCHEMBL29682221 0.92 MTNR1A (0.34) MEN1KMT2AGAAMTNR1ACTSB
SCHEMBL29112365 0.92 MTNR1A (0.34) MEN1KMT2AGAAMTNR1ACTSB
SCHEMBL24540815 0.90 MTNR1A (0.33) MEN1KMT2AGAAMTNR1ACTSB
SCHEMBL24540384 0.90 MAPT (0.41) MEN1KMT2AGAA
SCHEMBL29682042 0.90 MTNR1A (0.33) MEN1KMT2AGAAMTNR1ACTSB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed