SCHEMBL30632594

SCHEMBL30632594

NC(=O)C1(CCCc2ccccc2)CCC(F)(F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HTR3A P46098 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SPHK1 Q9NYA1 6/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL18342997 0.86 LMNA (0.46) LMNAHTR3AMEN1KMT2ASPHK1
SCHEMBL15390387 0.85 TAAR1 (0.42) SLC6A3
SCHEMBL5815466 0.85 LMNA (0.45) LMNAHTR3AMEN1KMT2ASPHK1
SCHEMBL21501013 0.79 HDAC3 (0.50) LMNAMEN1KMT2AHDAC3MAPK1
SCHEMBL3392742 0.75 TSHR (0.43) LMNAHTR3AMEN1KMT2ASPHK1
SCHEMBL27137776 0.73 SLC6A2 (0.42) LMNAHTR3AMEN1KMT2ASLC6A3
SCHEMBL25353570 0.72 ALDH1A1 (0.40) LMNAMEN1KMT2ASPHK1HDAC3
SCHEMBL2469547 0.72 MAOA (0.50) LMNASLC6A3SMN1; SMN2PKMALDH1A1
SCHEMBL30589493 0.72 MAOA (0.50) LMNASLC6A3SMN1; SMN2PKMALDH1A1
Hydrochloric Acid SCHEMBL27151922 0.72 SLC6A2 (0.41) LMNAMEN1KMT2ASPHK1SLC6A3

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-4499097-A1 METHODS OF TREATING A SUBJECT FOR POST-TREATMENT LYME DISEASE (PTLD) AND COMPOSITIONS FOR USE IN THE SAME IncellDx, Inc. (US) 2025-02-05 EP disclosed
WO-2023192360-A1 METHODS OF TREATING A SUBJECT FOR POST-TREATMENT LYME DISEASE (PTLD) AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-10-05 WO disclosed