SCHEMBL1581925

SCHEMBL1581925

O=C(O)N1CCC(CCCc2cccc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
BCHE P06276 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
SLC18A2 Q05940 1/20 0.44
KDM4E B2RXH2 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL1581739 0.92 SLC18A2 (0.49) SLC18A2KDM4EAPOBEC3AAPOBEC3G
SCHEMBL8228415 0.85 SLC18A2 (0.47) SLC18A2KDM4EAPOBEC3AAPOBEC3G
SCHEMBL1581917 0.81 FAAH (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9051255 0.79 SLC18A3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5447723 0.79 FAAH (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6354128 0.79 SLC6A4 (0.64) BCHE
SCHEMBL9529506 0.78 BCHE (0.66) BCHESIGMAR1SLC18A2
SCHEMBL1581417 0.77 CYP1A2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5482956 0.76 FAAH (0.57) SIGMAR1KDM4E
SCHEMBL1581512 0.75 ACHE (0.67)

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-1720872-B1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2011-04-20 EP disclosed
EP-1720872-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090347-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed