SCHEMBL3364208

SCHEMBL3364208

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
HSD11B1 P28845 2/20 0.39
TNKS O95271 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 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
SCHEMBL14206654 0.91 CRHR1 (0.46) CRHR1MEN1KMT2ACNR1
SCHEMBL3366726 0.90 CRHR1 (0.45) CRHR1MEN1KMT2ACNR1F2RL3
SCHEMBL3366050 0.89 CRHR1 (0.46) CRHR1MEN1KMT2ACNR1KDM4E
SCHEMBL4697892 0.88 CRHR1 (0.44) CRHR1MEN1KMT2ACNR1KDM4E
SCHEMBL3363935 0.88 CRHR1 (0.44) CRHR1MEN1KMT2ACNR1HTT
SCHEMBL3364212 0.84 CRHR1 (0.46) CRHR1CNR1KDM4EF2RL3HSD11B1
SCHEMBL3367536 0.82 CRHR1 (0.49) CRHR1CNR1KDM4EMAPK1F2RL3
SCHEMBL3365373 0.81 CRHR1 (0.46) CRHR1CNR1
SCHEMBL3364275 0.80 CRHR1 (0.58) CRHR1F2RL3HSD11B1TNKS
SCHEMBL14206630 0.80 CRHR1 (0.49) CRHR1KMT2ACNR1KDM4EMAPK1

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