SCHEMBL300483

SCHEMBL300483

O=C(N[C@@H](CO)Cc1ccccc1)Oc1nn(-c2nccc(C(F)(F)F)n2)c2c1CCCCC2Cc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
CHRM4 P08173 1/20 0.34
FFAR2 O15552 1/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
EGFR P00533 1/20 0.33
GPR6 P46095 3/20 0.32
MME P08473 1/20 0.32
ACKR3 P25106 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
CYP3A4 P08684 1/20 0.31
SCN9A Q15858 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL176604 0.90 CNR2 (0.50) CNR2CHRM4FFAR2EGFRGPR6
SCHEMBL176637 0.85 CNR2 (0.47) CNR2CHRM4FFAR2GPR6MME
SCHEMBL176445 0.83 CNR2 (0.59) CNR2CHRM4ACKR3TRPV1
SCHEMBL3470458 0.82 CNR2 (0.42) CNR2CHRM4PPARGPPARACHRM2
SCHEMBL176486 0.80 CNR2 (0.49) CNR2CHRM4TRPV1
SCHEMBL176525 0.80 CNR2 (0.52) CNR2CHRM4PPARGGPR6ACKR3
SCHEMBL176749 0.80 CNR2 (0.52) CNR2CHRM4PPARGGPR6ACKR3
SCHEMBL300486 0.75 CNR2 (0.65) CNR2FFAR2EGFRMME
SCHEMBL300535 0.75 CNR2 (0.65) CNR2FFAR2EGFRMME
SCHEMBL176498 0.72 CNR2 (0.56) CNR2EGFR

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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed