SCHEMBL4789327

SCHEMBL4789327

CC1(C)Cc2cc(NS(=O)(=O)C3CC3)cc(OCCCN3CCN(c4cc(Cl)cc5c4OCCO5)CC3)c2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
KIT P10721 2/20 0.36
EGFR P00533 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
DRD2 P14416 4/20 0.34
HTR6 P50406 1/20 0.32
HTR1A P08908 1/20 0.32

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
Hydrochloric Acid SCHEMBL4787517 0.90 FFAR4 (0.36) FFAR4KITEGFRIRAK4DRD2
Hydrochloric Acid SCHEMBL4786586 0.89 FFAR4 (0.36) FFAR4EGFRIRAK4DRD2HTR6
SCHEMBL4750488 0.85 FFAR4 (0.41) FFAR4IRAK4DRD2HTR1A
SCHEMBL4788280 0.84 FFAR4 (0.38) FFAR4EGFRIRAK4DRD2HTR1A
Hydrochloric Acid SCHEMBL4789618 0.82 FFAR4 (0.37) FFAR4IRAK4DRD2HTR1A
Hydrochloric Acid SCHEMBL4789360 0.72 POLB (0.40) HTR1A
Hydrochloric Acid SCHEMBL4786832 0.71 DRD2 (0.49) DRD2HTR1A
Hydrochloric Acid SCHEMBL4789310 0.69 DRD2 (0.52) DRD2HTR1A
Hydrochloric Acid SCHEMBL4789354 0.68 HTR1A (0.39) FFAR4DRD2HTR1A
SCHEMBL7118860 0.68 FFAR4 (0.44) FFAR4IRAK4DRD2HTR1A

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-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed