SCHEMBL20408204

SCHEMBL20408204

Cc1ccc(-c2[nH]c3ccccc3c2C(C[N+](=O)[O-])c2ccccc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.91
CNR2 P34972 1/20 0.83
KDM4E B2RXH2 1/20 0.76
MEN1 O00255 1/20 0.76
ALDH1A1 P00352 1/20 0.76
GAA P10253 1/20 0.76
MAPT P10636 1/20 0.76
HTT P42858 1/20 0.76
KMT2A Q03164 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76

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
SCHEMBL30571176 0.91 CNR1 (1.00) CNR1CNR2
SCHEMBL15094521 0.91 CNR1 (1.00) CNR1CNR2
SCHEMBL15099336 0.91 CNR1 (1.00) CNR1CNR2
SCHEMBL15094519 0.91 CNR1 (1.00) CNR1CNR2
SCHEMBL15099324 0.89 CNR1 (0.90) CNR1CNR2
SCHEMBL17548474 0.88 CNR1 (0.79) CNR1CNR2
SCHEMBL15094476 0.88 CNR1 (0.91) CNR1CNR2
SCHEMBL15094857 0.88 CNR1 (1.00) CNR1CNR2
SCHEMBL31282923 0.86 CNR1 (0.81) CNR1CNR2
SCHEMBL20394666 0.85 CNR1 (0.95) 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
EP-2800569-B1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS UNIV NORTHEASTERN (US) 2018-07-25 EP disclosed