SCHEMBL4692012

SCHEMBL4692012

CC(c1ccc(F)cc1)C(CNC(=O)C(C)(C)Oc1cc(C(F)(F)F)ncn1)c1cc(F)cc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.41
EPHX2 P34913 1/20 0.31
ACACB O00763 1/20 0.31
P2RX7 Q99572 1/20 0.30
TRPA1 O75762 1/20 0.30
CNR2 P34972 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL4688487 0.91 CNR1 (0.39) CNR1EPHX2P2RX7TRPA1CNR2
SCHEMBL4691419 0.88 CNR1 (0.51) CNR1CNR2
SCHEMBL4694081 0.85 CNR1 (0.51) CNR1EPHX2CNR2
SCHEMBL4691568 0.84 CNR1 (0.43) CNR1CNR2
SCHEMBL4691031 0.83 CNR1 (0.47) CNR1CNR2
SCHEMBL3374660 0.83 CNR1 (0.58) CNR1CNR2
SCHEMBL4691595 0.83 CNR1 (0.39) CNR1CNR2
SCHEMBL4691892 0.82 CNR1 (0.49) CNR1CNR2
SCHEMBL4691565 0.79 CNR1 (0.58) CNR1CNR2
SCHEMBL4688592 0.79 CNR1 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed