SCHEMBL6429928

SCHEMBL6429928

CCC(COC)Nc1cc(C)nc(Oc2ccc(OC(F)(F)F)cc2Br)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.43
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
PDE2A O00408 2/20 0.33
S1PR4 O95977 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL5842960 0.90 CRHR1 (0.38) CRHR1MAPTTDP1KDM4EMAPK1
SCHEMBL5842886 0.90 CRHR1 (0.42) CRHR1MAPTTDP1KDM4EMAPK1
SCHEMBL6429923 0.80 CRHR1 (0.33) CRHR1MAPTTDP1KDM4EMAPK1
SCHEMBL5843244 0.79 CRHR1 (0.42) CRHR1MAPTTDP1KDM4EMAPK1
SCHEMBL5844565 0.79 CRHR1 (0.39) CRHR1MAPTTDP1KDM4EMAPK1
SCHEMBL5843332 0.78 S1PR4 (0.44) CRHR1MAPTTDP1S1PR4NPC1
SCHEMBL5844211 0.78 CRHR1 (0.38) CRHR1MAPTMAPK1S1PR4
SCHEMBL5845747 0.78 CRHR1 (0.50) CRHR1
SCHEMBL5844295 0.75 CRHR1 (0.38) CRHR1MAPTTDP1KDM4EMAPK1
SCHEMBL5845050 0.72 CRHR1 (0.37) CRHR1MAPTTDP1KDM4EMAPK1

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
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed