SCHEMBL6729868

SCHEMBL6729868

C/C=C\C=C(/C=C/C)C(=O)N(Cc1cc(-c2ccc3[nH]ccc3c2)ccc1F)C1CCN(CI)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 2/20 0.36
▸ HTR2A P28223 3/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ ACHE P22303 2/20 0.31
▸ HTR4 Q13639 2/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ MELK Q14680 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ ABL1 P00519 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
SCHEMBL6730073 0.79 AOC3 (0.34) FASNSLC6A2SLC6A4SLC6A3
SCHEMBL6730746 0.77 HDAC2 (0.37) FASNHDAC2
SCHEMBL3701259 0.71 FASN (0.42) FASNHTR2A
SCHEMBL3700861 0.70 FASN (0.42) FASNHTR2A
SCHEMBL6730692 0.70 FASN (0.42) FASNHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL3692104 0.69 TP53 (0.45) FASNHTR2A
SCHEMBL3698083 0.69 HTR2A (0.42) FASNHTR2AACHEHTR4ABL1
SCHEMBL13604749 0.68 CACNA2D1 (0.47) FASNOPRM1
SCHEMBL3696842 0.68 BRAF (0.41) FASNHTR2AACHEHTR4ABL1
SCHEMBL3692989 0.68 HTR2A (0.52) HTR2A

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-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP disclosed
Send feedback