SCHEMBL9057063

SCHEMBL9057063

O=C(O)CCC1CCC(c2nc(-c3cc4c(cc3Cl)CCNCC4)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 3/20 0.36
ACHE P22303 1/20 0.35
HPGDS O60760 1/20 0.34
AOC3 Q16853 1/20 0.32
ITGB3 P05106 4/20 0.31
ITGA2B P08514 4/20 0.31
FFAR4 Q5NUL3 1/20 0.31
DGAT1 O75907 1/20 0.31
SHMT1 P34896 1/20 0.30
SHMT2 P34897 1/20 0.30
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
SCHEMBL9057060 1.00 BAZ2A (0.36) BAZ2AACHEHPGDSAOC3ITGB3
SCHEMBL9055358 0.89 HPGDS (0.36) BAZ2AACHEHPGDSAOC3ITGB3
SCHEMBL9055350 0.89 HPGDS (0.36) BAZ2AACHEHPGDSAOC3ITGB3
SCHEMBL9056714 0.89 BAZ2A (0.36) BAZ2AACHEHPGDSAOC3ITGB3
SCHEMBL9054087 0.89 BAZ2A (0.39) BAZ2AACHEHPGDSAOC3ITGB3
SCHEMBL9054357 0.89 FFAR4 (0.36) BAZ2AACHEHPGDSAOC3ITGB3
SCHEMBL9054364 0.89 FFAR4 (0.36) BAZ2AACHEHPGDSAOC3ITGB3
SCHEMBL9054080 0.89 BAZ2A (0.39) BAZ2AACHEHPGDSAOC3ITGB3
SCHEMBL9056725 0.89 BAZ2A (0.36) BAZ2AACHEHPGDSAOC3ITGB3
SCHEMBL9057498 0.88 FFAR4 (0.34) ACHEFFAR4DGAT1HTR4

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