SCHEMBL13747015

SCHEMBL13747015

C=C[C@H]1CCC(=O)N1c1ccc(CCCCCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
THRB P10828 6/20 0.43
THRA P10827 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGER2 P43116 4/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 3/20 0.41
SPHK1 Q9NYA1 4/20 0.40
S1PR1 P21453 2/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL12112012 1.00 FAAH (0.47) FAAHMGLLTHRBTHRAMEN1
SCHEMBL13693307 0.90 FAAH (0.49) FAAHMGLLPTGER2PTGER4PTGER3
SCHEMBL12568629 0.90 FAAH (0.49) FAAHMGLLPTGER2PTGER4PTGER3
SCHEMBL14444576 0.90 FAAH (0.49) FAAHMGLLPTGER2PTGER4PTGER3
SCHEMBL13125487 0.81 PTGER2 (0.60) PTGER2PTGER4PTGER3
SCHEMBL12621415 0.81 FAAH (0.50) FAAHMGLLPTGER2PTGER4PTGER3
SCHEMBL14315052 0.80 PTGER2 (0.61) PTGER2PTGER4PTGER3
SCHEMBL12568637 0.79 SPHK1 (0.52) FAAHMGLLPTGER2PTGER4PTGER3
SCHEMBL12112017 0.79 SPHK1 (0.52) FAAHMGLLPTGER2PTGER4PTGER3
SCHEMBL13780837 0.75 PTGER2 (0.65) PTGER2PTGER4PTGER3S1PR1

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-2009097223-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-08-06 WO disclosed