SCHEMBL701414

SCHEMBL701414

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

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.69
CNR2 P34972 1/20 0.56
PTGER4 P35408 1/20 0.40
PDE2A O00408 1/20 0.38
ENPP2 Q13822 1/20 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
SCHEMBL700450 0.91 CNR1 (0.68) CNR1CNR2PTGER4PDE2A
SCHEMBL700628 0.88 CNR1 (0.88) CNR1CNR2
SCHEMBL3177198 0.87 CNR1 (0.52) CNR1CNR2
SCHEMBL703264 0.86 CNR1 (0.68) CNR1CNR2
SCHEMBL702556 0.85 CNR1 (0.69) CNR1CNR2
SCHEMBL701648 0.85 CNR1 (0.65) CNR1CNR2
SCHEMBL702914 0.84 CNR1 (0.70) CNR1CNR2
SCHEMBL700775 0.83 CNR1 (0.65) CNR1CNR2
SCHEMBL700577 0.82 CNR1 (0.76) CNR1CNR2
SCHEMBL709250 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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