SCHEMBL6924568

SCHEMBL6924568

O=C1CCCc2c1c1cccc(F)c1n2Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
FABP3 P05413 3/20 0.41

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
SCHEMBL6921111 0.91 CSNK2A2 (0.53) FABP4HDAC1HDAC6PTGS1PTGS2
SCHEMBL6923369 0.89 FABP4 (0.50) FABP4HDAC1HDAC6PTGS1PTGS2
SCHEMBL6925136 0.88 FABP4 (0.52) FABP4HDAC1HDAC6PTGS1PTGS2
SCHEMBL7555285 0.82 DYRK1A (0.49) FABP4HDAC1HDAC6PTGS1PTGS2
SCHEMBL6923513 0.79 HDAC1 (0.76) HDAC1HDAC6PTGS1PTGS2HTT
SCHEMBL6925034 0.78 CSNK2A2 (0.54) FABP4HDAC1HDAC6PTGS1PTGS2
SCHEMBL6925466 0.77 ATM (0.55) FABP4HDAC1HDAC6PTGS1PTGS2
SCHEMBL6926059 0.76 PTGS1 (0.67) HDAC1HDAC6PTGS1PTGS2HTT
SCHEMBL7285389 0.75 JAK2 (0.38) HDAC1HDAC6PTGS1PTGS2ALDH1A1
SCHEMBL6920465 0.75 HDAC1 (0.64) HDAC1HDAC6PTGS1PTGS2HTT

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
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed