SCHEMBL700450

SCHEMBL700450

C[C@@H](NC(=O)c1nn(-c2ccccc2F)c(-c2ccc(Cl)cc2)c1Cc1nnn[nH]1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.68
CNR2 P34972 1/20 0.68
PDE2A O00408 2/20 0.39
PTGER4 P35408 2/20 0.38

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
SCHEMBL701414 0.91 CNR1 (0.69) CNR1CNR2PDE2APTGER4
SCHEMBL703264 0.88 CNR1 (0.68) CNR1CNR2
SCHEMBL702556 0.87 CNR1 (0.69) CNR1CNR2
SCHEMBL701454 0.87 CNR1 (0.88) CNR1CNR2PTGER4
SCHEMBL701648 0.87 CNR1 (0.65) CNR1CNR2
SCHEMBL700775 0.86 CNR1 (0.65) CNR1CNR2
SCHEMBL702724 0.86 CNR1 (0.66) CNR1CNR2
SCHEMBL702914 0.85 CNR1 (0.70) CNR1CNR2
SCHEMBL704020 0.85 CNR1 (0.65) CNR1CNR2
SCHEMBL700577 0.84 CNR1 (0.76) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121617-B1 CB1 RECEPTOR MODULATORS 7TM PHARMA AS (DK) 2014-01-22 EP claimed
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 US claimed
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 US disclosed