SCHEMBL21065206

SCHEMBL21065206

CC(C)Oc1ncccc1-c1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)on1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.65
HCRTR1 O43613 12/20 0.65
USP30 Q70CQ3 2/20 0.40
UCHL1 P09936 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
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
SCHEMBL21065207 1.00 HCRTR2 (0.65) HCRTR2HCRTR1USP30UCHL1FFAR4
SCHEMBL3853950 0.91 HCRTR1 (0.64) HCRTR2HCRTR1USP30UCHL1POLB
SCHEMBL3853946 0.91 HCRTR1 (0.64) HCRTR2HCRTR1USP30UCHL1POLB
SCHEMBL21065161 0.89 HCRTR1 (0.65) HCRTR2HCRTR1
SCHEMBL21065162 0.89 HCRTR1 (0.65) HCRTR2HCRTR1
SCHEMBL3916610 0.87 HCRTR1 (0.53) HCRTR2HCRTR1USP30UCHL1POLB
SCHEMBL3916612 0.87 HCRTR1 (0.53) HCRTR2HCRTR1USP30UCHL1POLB
SCHEMBL3852302 0.86 HCRTR1 (0.50) HCRTR2HCRTR1USP30UCHL1POLB
SCHEMBL3852298 0.86 HCRTR1 (0.50) HCRTR2HCRTR1USP30UCHL1POLB
SCHEMBL3922427 0.85 HCRTR1 (0.49) HCRTR2HCRTR1USP30UCHL1POLB

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
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed