SCHEMBL14747166

SCHEMBL14747166

O=C(O)C1Cc2ccccc2CN1C(=O)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 17/20 0.63
▸ ACE P12821 2/20 0.49

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
SCHEMBL14747164 1.00 NR1D1 (0.63) NR1D1ACE
SCHEMBL16889050 0.84 NR1D1 (0.53) NR1D1
SCHEMBL382552 0.82 ACE (0.52) NR1D1ACE
SCHEMBL14740846 0.82 NR1D1 (0.70) NR1D1
SCHEMBL7532707 0.82 NR1D1 (0.55) NR1D1ACE
SCHEMBL7532710 0.82 NR1D1 (0.55) NR1D1ACE
SCHEMBL14744595 0.81 NR1D1 (0.71) NR1D1
SCHEMBL14744748 0.81 NR1D1 (0.71) NR1D1
SCHEMBL14744639 0.80 NR1D1 (0.70) NR1D1
SCHEMBL16889079 0.80 NR1D1 (0.70) NR1D1

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-2013033310-A1 MODULATORS OF REV-ERB KAMENECKA THEODORE MARK (US) 2013-03-07 — — WO disclosed
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