SCHEMBL22926264

SCHEMBL22926264

NC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5sc(C6CC6(N)C(=O)N6CCN(C(=O)c7ccc(-c8ccc9scnc9c8)cc7)CC6)nc5c4)cc3)CC2)CCC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 4/20 0.58
▸ DYRK2 Q92630 10/20 0.40
▸ CRBN Q96SW2 2/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ USP7 Q93009 1/20 0.37

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
SCHEMBL17389766 0.87 FASN (0.76) FASNDYRK2CRBNJAK2USP7
SCHEMBL17389702 0.84 FASN (0.80) FASNDYRK2CRBNJAK2USP7
SCHEMBL17389968 0.79 FASN (0.63) FASNDYRK2CRBN
SCHEMBL17390091 0.77 FASN (0.71) FASNDYRK2CRBNJAK2
SCHEMBL17389973 0.77 FASN (0.92) FASNDYRK2CRBN
SCHEMBL17389982 0.76 FASN (0.67) FASNDYRK2CRBN
SCHEMBL16149749 0.74 FASN (1.00) FASNCRBN
SCHEMBL22926432 0.72 FASN (0.58) FASN
SCHEMBL21231558 0.70 FASN (0.48) FASN
SCHEMBL17389875 0.70 FASN (0.82) FASNDYRK2CRBNJAK2

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
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 — — EP disclosed
Send feedback