SCHEMBL4423581

SCHEMBL4423581

Cc1c(OC(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2F)n1CC1CCCCC1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
FAAH O00519 8/20 0.39
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4368598 0.86 CNR2 (0.42) CNR1
SCHEMBL3916898 0.86 CNR1 (0.60) CNR1FAAHMEN1NPC1RAB9A
SCHEMBL13717335 0.86 CNR1 (0.60) CNR1FAAHMEN1NPC1RAB9A
SCHEMBL5570586 0.86 CNR1 (0.60) CNR1FAAHMEN1NPC1RAB9A
SCHEMBL3916901 0.86 CNR1 (0.60) CNR1FAAHMEN1NPC1RAB9A
SCHEMBL4372987 0.83 CNR1 (0.39) CNR1FAAH
SCHEMBL4375089 0.82 CNR1 (0.39) CNR1FAAH
SCHEMBL4370563 0.81 CNR1 (0.49) CNR1
SCHEMBL4367945 0.81 CNR1 (0.49) CNR1
SCHEMBL4367963 0.80 CNR1 (0.47) CNR1

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-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP claimed