SCHEMBL4371368

SCHEMBL4371368

Cc1c(OC(=O)NC2CCCCC2)cc(-c2cc(Cl)ccc2F)n1CC1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL4370567 0.85 CNR2 (0.45) FAAHLMNAHPGDSMN1; SMN2NPC1
SCHEMBL4423581 0.75 CNR1 (0.46) FAAHNPC1RAB9AEPHX1MEN1
SCHEMBL4368598 0.74 CNR2 (0.42) CNR1CNR2
SCHEMBL3919199 0.73 CNR1 (0.55) FAAHLMNAHPGDSMN1; SMN2NPC1
SCHEMBL3916843 0.73 CNR1 (0.53) FAAHLMNAHPGDSMN1; SMN2NPC1
SCHEMBL4372987 0.72 CNR1 (0.39) FAAHHPGDCNR1CNR2
SCHEMBL4375089 0.70 CNR1 (0.39) FAAHCNR1
SCHEMBL3921317 0.70 CNR2 (0.46) FAAHLMNAHPGDSMN1; SMN2NPC1
SCHEMBL4424973 0.69 MEN1 (0.46) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL4426908 0.69 MEN1 (0.46) LMNANPC1RAB9AMEN1KMT2A

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-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed