SCHEMBL2702016

SCHEMBL2702016

O=C(NC1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2ccc(Cl)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 1.00
CNR2 P34972 2/20 0.76
TACR2 P21452 1/20 0.75

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
SCHEMBL2702019 1.00 CNR1 (1.00) CNR1CNR2TACR2
SCHEMBL2704767 0.99 CNR1 (1.00) CNR1CNR2TACR2
SCHEMBL2704666 0.99 CNR1 (1.00) CNR1CNR2TACR2
SCHEMBL2702760 0.86 CNR1 (1.00) CNR1CNR2TACR2
SCHEMBL3848696 0.86 CNR1 (0.96) CNR1CNR2TACR2
SCHEMBL2704675 0.86 CNR1 (1.00) CNR1CNR2TACR2
SCHEMBL5271437 0.86 CNR1 (0.96) CNR1CNR2TACR2
SCHEMBL9931290 0.86 CNR1 (1.00) CNR1CNR2TACR2
SCHEMBL2704708 0.86 CNR1 (1.00) CNR1CNR2TACR2
SCHEMBL2705566 0.85 CNR1 (0.84) CNR1CNR2TACR2

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-2450350-A1 3-Pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents F. Hoffmann-La Roche AG (CH) 2012-05-09 EP claimed