SCHEMBL9056725

SCHEMBL9056725

Nc1cc2c(cc1-c1csc(C3CCC(CCC(=O)O)CC3)n1)CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 3/20 0.36
AOC3 Q16853 1/20 0.34
HPGDS O60760 1/20 0.34
ACHE P22303 1/20 0.33
DRD2 P14416 1/20 0.33
DGAT1 O75907 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ITGB3 P05106 4/20 0.31
ITGA2B P08514 4/20 0.31
TSHR P16473 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HTR4 Q13639 1/20 0.30

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
SCHEMBL9056714 1.00 BAZ2A (0.36) BAZ2AAOC3HPGDSACHEDRD2
SCHEMBL9055358 0.89 HPGDS (0.36) BAZ2AAOC3HPGDSACHEDGAT1
SCHEMBL9055350 0.89 HPGDS (0.36) BAZ2AAOC3HPGDSACHEDGAT1
SCHEMBL9054087 0.89 BAZ2A (0.39) BAZ2AAOC3HPGDSACHEDGAT1
SCHEMBL9054080 0.89 BAZ2A (0.39) BAZ2AAOC3HPGDSACHEDGAT1
SCHEMBL9054357 0.89 FFAR4 (0.36) BAZ2AAOC3HPGDSACHEDGAT1
SCHEMBL9054364 0.89 FFAR4 (0.36) BAZ2AAOC3HPGDSACHEDGAT1
SCHEMBL9057060 0.89 BAZ2A (0.36) BAZ2AAOC3HPGDSACHEDGAT1
SCHEMBL9057063 0.89 BAZ2A (0.36) BAZ2AAOC3HPGDSACHEDGAT1
SCHEMBL9053818 0.88 DRD2 (0.34) DRD2DGAT1ITGB3ITGA2BTSHR

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
WO-1996004271-A1 CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-02-15 WO disclosed