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SCHEMBL17166358

SCHEMBL17166358

COc1cccc(OC)c1C(=O)N(C1CCC1)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 17/20 0.60
▸ HCRTR2 O43614 11/20 0.60
▸ PDE4B Q07343 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL17007146 1.00 HCRTR1 (0.60) HCRTR1HCRTR2PDE4BPOLB
SCHEMBL17007089 0.86 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL17021480 0.83 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL17166547 0.83 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL18589168 0.77 HCRTR1 (0.54) HCRTR1HCRTR2POLB
SCHEMBL17166357 0.77 HCRTR1 (0.54) HCRTR1HCRTR2POLB
SCHEMBL17017320 0.77 HCRTR1 (0.54) HCRTR1HCRTR2POLB
Hydrochloric Acid SCHEMBL17007286 0.76 HCRTR1 (0.53) HCRTR1HCRTR2POLB
SCHEMBL17017422 0.75 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL17028041 0.75 HCRTR1 (1.00) HCRTR1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 — — US disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 — — US disclosed