SCHEMBL27367368

SCHEMBL27367368

[CH2]CCCn1cnc(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
PDE10A Q9Y233 1/20 0.38
DGAT1 O75907 3/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H3 Q13133 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NR1H2 P55055 1/20 0.35
HPGDS O60760 1/20 0.34

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
SCHEMBL27483841 0.84 HDAC1 (0.51) HDAC1HDAC6KDM4ELMNAMAPT
SCHEMBL8656324 0.83 HDAC1 (0.45) HDAC1HDAC6PDE10ADGAT1
Hydrochloric Acid SCHEMBL8093008 0.82 HDAC1 (0.44) HDAC1HDAC6PDE10A
SCHEMBL14736672 0.79 HDAC1 (0.47) HDAC1HDAC6PDE10ADGAT1NR1H3
Hydrochloric Acid SCHEMBL14736481 0.78 HDAC1 (0.46) HDAC1HDAC6PDE10ADGAT1NR1H3
SCHEMBL21670558 0.77 HDAC1 (0.40) HDAC1HDAC6PDE10ADGAT1KDM4E
SCHEMBL11604895 0.75 HDAC1 (0.53) HDAC1HDAC6PDE10ADGAT1KDM4E
SCHEMBL21872254 0.75 HDAC1 (0.49) HDAC1HDAC6PDE10ALMNANR1H3
SCHEMBL8830140 0.75 HDAC1 (0.49) HDAC1HDAC6PDE10AKMT2ANR1H3
SCHEMBL11217270 0.75 HDAC1 (0.46) HDAC1HDAC6KDM4EMEN1KMT2A

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
CN-1088709-C Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 2002-08-07 CN disclosed
CN-1052984-C Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-05-31 CN disclosed
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN disclosed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN disclosed