SCHEMBL3368566

SCHEMBL3368566

COCCNS(=O)(=O)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALPL P05186 1/20 0.41
LMNA P02545 1/20 0.40
SLC9A3 P48764 1/20 0.40
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3363668 0.88 CRHR1 (0.41) CRHR1SMN1; SMN2ALPL
SCHEMBL3364041 0.83 CRHR1 (0.46) CRHR1ALDH1A1KDM4E
SCHEMBL3364646 0.80 CRHR1 (0.49) CRHR1ALDH1A1KDM4ELMNA
SCHEMBL8296189 0.79 CRHR1 (0.44) CRHR1ALDH1A1KDM4E
SCHEMBL3366885 0.79 CRHR1 (0.48) CRHR1ALDH1A1KDM4E
SCHEMBL3365289 0.79 CRHR1 (0.48) CRHR1ALDH1A1KDM4E
SCHEMBL3363779 0.79 CRHR1 (0.44) CRHR1
SCHEMBL3362573 0.77 CRHR1 (0.46) CRHR1ALDH1A1KDM4E
SCHEMBL3362619 0.75 CRHR1 (0.46) CRHR1ALDH1A1KDM4E
SCHEMBL3364556 0.74 CRHR1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed