SCHEMBL18994457

SCHEMBL18994457

CC(C)(C)CCOc1cc(CC(C)(C)CCOc2ncccn2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 3/20 0.37
▸ LOX P28300 2/20 0.37
▸ MCHR1 Q99705 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL10202978 0.76 MCHR1 (0.40) MCHR1ALOX5APFEN1
SCHEMBL18994470 0.70 CYP1A2 (0.31) —
SCHEMBL10202933 0.70 TSHR (0.44) MCHR1
SCHEMBL18994394 0.68 LNPEP (0.33) —
SCHEMBL22905267 0.68 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL18994419 0.68 HTR1A (0.38) MCHR1
SCHEMBL13028811 0.67 LOXL2 (0.65) LOXL2LOX
SCHEMBL21227110 0.64 LOXL2 (0.61) LOXL2LOX
SCHEMBL22837053 0.64 KCNK3 (0.35) —
SCHEMBL4930812 0.64 LOXL2 (0.59) LOXL2LOXMCHR1

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
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
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