SCHEMBL6500889

SCHEMBL6500889

CCC(O)C(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.57
CNR2 P34972 11/20 0.57
FDFT1 P37268 2/20 0.57

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
SCHEMBL3524162 0.85 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL13804811 0.83 CNR1 (0.58) CNR1CNR2FDFT1
SCHEMBL3527995 0.83 CNR1 (0.58) CNR1CNR2FDFT1
SCHEMBL13804852 0.82 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL3527229 0.82 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL5262269 0.81 CNR1 (0.63) CNR1CNR2FDFT1
SCHEMBL3525559 0.81 FDFT1 (0.59) CNR1CNR2FDFT1
SCHEMBL13804856 0.79 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL3527483 0.79 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL3523478 0.78 CNR1 (0.73) CNR1CNR2FDFT1

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-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed