SCHEMBL15800092

SCHEMBL15800092

CC(=O)CCCCCCN1CCCc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ HDAC1 Q13547 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ PAOX Q6QHF9 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ REN P00797 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL362351 0.91 MAPK14 (0.40) FAAHPKMMAPK14MAPK1CHRNA3
SCHEMBL15800093 0.90 NPC1 (0.36) FAAHHDAC1PKMPAOXREN
SCHEMBL15800091 0.89 FAAH (0.39) FAAHHDAC1PAOXCYP3A4
SCHEMBL15800096 0.89 FAAH (0.39) FAAHHDAC1PAOXCYP3A4
SCHEMBL15111305 0.89 PKM (0.41) FAAHPKMMAPK14
SCHEMBL15800095 0.88 FAAH (0.37) FAAHHDAC1MAPK1CYP3A4
SCHEMBL15800094 0.87 HSD17B10 (0.41) HDAC1MAPK1CHRNA3CYP3A4
SCHEMBL361200 0.83 LTB4R (0.39) PKM
SCHEMBL15110756 0.83 LTB4R (0.39) PKM
SCHEMBL360807 0.83 LTB4R (0.39) PKM

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-8754085-B2 Pyrido[2,3-b]pyrazine compounds useful as IP receptor agonist NOVARTIS AG (CH) 2014-06-17 — — US disclosed
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