SCHEMBL9054518

SCHEMBL9054518

c1ccc2[nH]c(C[C@H]3CCCN3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.50
HDAC8 Q9BY41 2/20 0.49
POLB P06746 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL4559567 0.81 HDAC8 (0.48) HDAC8LOXL2HRH3
SCHEMBL12009961 0.77 CHRNB2 (0.45) HTR6POLB
SCHEMBL2006349 0.77 CHRNB2 (0.45) HTR6POLB
SCHEMBL2009217 0.77 CHRNB2 (0.45)
SCHEMBL2009034 0.77 CHRNB2 (0.45)
SCHEMBL2010528 0.77 CHRNB2 (0.45)
SCHEMBL2005748 0.77 CHRNB2 (0.45) HTR6POLB
SCHEMBL2005746 0.77 CHRNB2 (0.45) HTR6POLB
SCHEMBL26054231 0.76 BCHE (0.53) HDAC8LOXL2HRH3
SCHEMBL12009958 0.73 CHRNB2 (0.40) HTR6POLBHRH3

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-0695301-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-02-07 EP disclosed