SCHEMBL9055358

SCHEMBL9055358

O=C(O)CCC1CCC(c2nc(-c3cc4c(cc3O)CCNCC4)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
BAZ2A Q9UIF9 3/20 0.36
ACHE P22303 1/20 0.36
AOC3 Q16853 1/20 0.35
ITGB3 P05106 7/20 0.33
ITGA2B P08514 7/20 0.33
FFAR4 Q5NUL3 2/20 0.33
DGAT1 O75907 2/20 0.33
ADCY6 O43306 1/20 0.33
ADCY3 O60266 1/20 0.33
ADCY9 O60503 1/20 0.33
ADCY5 O95622 1/20 0.33
ADCY8 P40145 1/20 0.33
ADCY7 P51828 1/20 0.33
ADCY2 Q08462 1/20 0.33
ADCY1 Q08828 1/20 0.33
ADCY4 Q8NFM4 1/20 0.33
ITGA2 P17301 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
SCHEMBL9055350 1.00 HPGDS (0.36) HPGDSBAZ2AACHEAOC3ITGB3
SCHEMBL9054364 0.89 FFAR4 (0.36) HPGDSBAZ2AACHEAOC3ITGB3
SCHEMBL9054357 0.89 FFAR4 (0.36) HPGDSBAZ2AACHEAOC3ITGB3
SCHEMBL9056714 0.89 BAZ2A (0.36) HPGDSBAZ2AACHEAOC3ITGB3
SCHEMBL9054080 0.89 BAZ2A (0.39) HPGDSBAZ2AACHEAOC3ITGB3
SCHEMBL9057063 0.89 BAZ2A (0.36) HPGDSBAZ2AACHEAOC3ITGB3
SCHEMBL9054087 0.89 BAZ2A (0.39) HPGDSBAZ2AACHEAOC3ITGB3
SCHEMBL9057060 0.89 BAZ2A (0.36) HPGDSBAZ2AACHEAOC3ITGB3
SCHEMBL9056725 0.89 BAZ2A (0.36) HPGDSBAZ2AACHEAOC3ITGB3
SCHEMBL9053677 0.88 BAZ2A (0.35) HPGDSBAZ2AACHEAOC3ITGB3

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