SCHEMBL19475381

SCHEMBL19475381

Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@@H](C)CO)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 1.00
CNR1 P21554 9/20 0.70

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
SCHEMBL2511735 1.00 CNR2 (1.00) CNR2CNR1
SCHEMBL2508145 1.00 CNR2 (1.00) CNR2CNR1
Hydrochloric Acid SCHEMBL2511198 0.99 CNR2 (0.98) CNR2CNR1
Hydrochloric Acid SCHEMBL2506033 0.99 CNR2 (0.98) CNR2CNR1
Oxalic Acid SCHEMBL2510093 0.95 CNR2 (0.91) CNR2CNR1
SCHEMBL12265320 0.90 CNR2 (0.82) CNR2CNR1
SCHEMBL19475522 0.89 CNR2 (0.79) CNR2CNR1
SCHEMBL12197632 0.89 CNR2 (0.79) CNR2CNR1
Hydrochloric Acid SCHEMBL2510844 0.88 CNR2 (0.78) CNR2CNR1
SCHEMBL2510095 0.87 CNR2 (0.77) CNR2CNR1

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
WO-2017184413-A1 TREATMENT FOR NONALCOHOLIC STEATOHEPATITIS AND FIBROSIS ELI LILLY AND COMPANY (US) 2017-10-26 WO disclosed