SCHEMBL3366121

SCHEMBL3366121

CCCN(CCC)C(=O)Oc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.48

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
SCHEMBL3362477 0.96 CRHR1 (0.47) CRHR1
SCHEMBL3368609 0.92 KDM4E (0.45) CRHR1
SCHEMBL3364735 0.91 CRHR1 (0.51) CRHR1
SCHEMBL4699539 0.91 CRHR1 (0.51) CRHR1
SCHEMBL3364610 0.88 CRHR1 (0.49) CRHR1
SCHEMBL3367997 0.88 CRHR1 (0.44) CRHR1
Trifluoroacetic Acid SCHEMBL4698869 0.86 KDM4E (0.40) CRHR1
Trifluoroacetic Acid SCHEMBL4701370 0.86 CRHR1 (0.46) CRHR1
SCHEMBL3363721 0.86 CRHR1 (0.50) CRHR1
SCHEMBL3367293 0.84 CRHR1 (0.48) CRHR1

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-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed