SCHEMBL4379722

SCHEMBL4379722

CCCCCCC/C=C/c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
FAAH O00519 6/20 0.36
TRPV1 Q8NER1 2/20 0.36
CES1 P23141 1/20 0.35
TNNC1 P63316 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN7 P35236 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
SCHEMBL4379724 1.00 MGLL (0.38) MGLLFAAHTRPV1CES1TNNC1
SCHEMBL31554340 1.00 MGLL (0.38) MGLLFAAHTRPV1CES1TNNC1
SCHEMBL31681667 0.93 PDE5A (0.31) MGLL
SCHEMBL10795323 0.76 MEN1 (0.33)
SCHEMBL11205811 0.74 TAAR1 (0.32)
SCHEMBL4618358 0.73 MGLL (0.41) MGLLFAAHTRPV1
SCHEMBL4618548 0.73 MGLL (0.41) MGLLFAAHTRPV1
SCHEMBL7529684 0.71 NPC1 (0.50) FAAHCES1
SCHEMBL3115987 0.71 NPC1 (0.50) FAAHCES1
SCHEMBL4619602 0.71 MGLL (0.39) MGLLFAAHTRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed