SCHEMBL4702271

SCHEMBL4702271

Cc1cc(C)c(-c2cccc3c(CCCNCc4ccccc4)n(C)nc23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
SCN8A Q9UQD0 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 4/20 0.37
SIGMAR1 Q99720 1/20 0.36
NSD2 O96028 1/20 0.35
MAOA P21397 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL4703706 0.92 MEN1 (0.40) CRHR1SCN8AMEN1KMT2APOLB
SCHEMBL4700164 0.89 SCN8A (0.44) CRHR1SCN8ANSD2
SCHEMBL4702626 0.86 HEXA (0.43) POLB
SCHEMBL4701270 0.84 CHRM2 (0.39) CRHR1MEN1KMT2APOLB
SCHEMBL4757562 0.84 SMN1; SMN2 (0.39) CRHR1MEN1KMT2A
SCHEMBL4698855 0.84 CRHR1 (0.44) CRHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4697950 0.83 CRHR1 (0.44) CRHR1MEN1KMT2A
SCHEMBL4702341 0.83 CRHR1 (0.40) CRHR1
SCHEMBL4700554 0.83 DRD4 (0.34) CRHR1
Trifluoroacetic Acid SCHEMBL4699604 0.81 KDM4E (0.44) MEN1KMT2APOLB

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-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed