SCHEMBL701454

SCHEMBL701454

C[C@@H](NC(=O)c1nn(-c2ccccc2F)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.88
CNR2 P34972 1/20 0.88
PTGER4 P35408 1/20 0.43

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
SCHEMBL702040 0.94 CNR1 (1.00) CNR1CNR2
SCHEMBL700628 0.91 CNR1 (0.88) CNR1CNR2
SCHEMBL700450 0.87 CNR1 (0.68) CNR1CNR2PTGER4
SCHEMBL702841 0.85 CNR1 (1.00) CNR1CNR2
SCHEMBL700939 0.85 CNR1 (0.90) CNR1CNR2
SCHEMBL702557 0.85 CNR1 (0.90) CNR1CNR2
SCHEMBL701617 0.84 CNR1 (1.00) CNR1CNR2
SCHEMBL10087191 0.84 CNR1 (1.00) CNR1CNR2
SCHEMBL10087193 0.84 CNR1 (0.82) CNR1CNR2PTGER4
SCHEMBL702532 0.82 CNR1 (0.89) 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 1 patent. 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 disclosed