SCHEMBL3367997

SCHEMBL3367997

CN(C)C(=O)Oc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.44
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TSPO P30536 1/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
ALPL P05186 1/20 0.37

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
SCHEMBL3368609 0.89 KDM4E (0.45) CRHR1LMNASMN1; SMN2KDM4ETSPO
SCHEMBL3366121 0.88 CRHR1 (0.48) CRHR1
SCHEMBL3362477 0.86 CRHR1 (0.47) CRHR1KDM4E
SCHEMBL3364228 0.86 CRHR1 (0.46) CRHR1KDM4EGAAALDH1A1ALPL
SCHEMBL3364735 0.85 CRHR1 (0.51) CRHR1
SCHEMBL3367593 0.85 CRHR1 (0.44) CRHR1LMNASMN1; SMN2KDM4EGAA
SCHEMBL3364610 0.83 CRHR1 (0.49) CRHR1KDM4E
Trifluoroacetic Acid SCHEMBL4698869 0.83 KDM4E (0.40) CRHR1LMNAKDM4ETSPOTSHR
SCHEMBL3368073 0.82 CRHR1 (0.41) CRHR1SMN1; SMN2KDM4EGAAALPL
SCHEMBL4699539 0.81 CRHR1 (0.51) 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