SCHEMBL30304705

SCHEMBL30304705

CC(C)OC(=O)C[C@H]1CC[C@H](N)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMYD3 Q9H7B4 2/20 0.35
MIF P14174 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31

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
Hydrochloric Acid SCHEMBL29210818 0.98 LMNA (0.34) LMNASMYD3MIFL3MBTL1TDP1
SCHEMBL29210828 0.83 SHBG (0.36) LMNAMIFL3MBTL1TDP1TSHR
SCHEMBL29080682 0.83 LMNA (0.36) LMNAMIFL3MBTL1TDP1TSHR
SCHEMBL19259372 0.82 L3MBTL1 (0.45) LMNAMIFL3MBTL1TDP1NPSR1
SCHEMBL7569020 0.81 L3MBTL1 (0.47) LMNAL3MBTL1TDP1NPSR1SLC1A3
SCHEMBL13240741 0.79 BRD4 (0.43) LMNASMYD3L3MBTL1TDP1TSHR
SCHEMBL13240738 0.79 BRD4 (0.43) LMNASMYD3L3MBTL1TDP1TSHR
SCHEMBL1188558 0.79 BRD4 (0.43) LMNASMYD3L3MBTL1TDP1TSHR
SCHEMBL13009571 0.78 BRD4 (0.40) SMYD3TDP1TSHRALDH1A1
SCHEMBL8485377 0.78 NR1H2 (0.36) SMYD3MIFL3MBTL1ALDH1A1

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-4402276-A1 PROCESS TO PRODUCE (1 R, 4 R)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES Richter Gedeon Nyrt. (HU) 2024-07-24 EP claimed
WO-2023042081-A1 PROCESS TO PRODUCE (1r,4r)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES RICHTER GEDEON NYRT. (HU) 2023-03-23 WO claimed
EP-4402276-A1 PROCESS TO PRODUCE (1 R, 4 R)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES Richter Gedeon Nyrt. (HU) 2024-07-24 EP disclosed
WO-2023042081-A1 PROCESS TO PRODUCE (1r,4r)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES RICHTER GEDEON NYRT. (HU) 2023-03-23 WO disclosed