SCHEMBL6445851

SCHEMBL6445851

CCCC(Nc1cc(C)nc(Oc2c(Cl)cc(OC)cc2Br)c1[N+](=O)[O-])OC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.32
CRHR1 P34998 1/20 0.31
THRA P10827 2/20 0.30
THRB P10828 2/20 0.30
DCTPP1 Q9H773 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5844565 0.85 CRHR1 (0.39) S1PR4CRHR1DCTPP1
SCHEMBL6445853 0.80 S1PR4 (0.32) S1PR4CRHR1DCTPP1L3MBTL1
SCHEMBL5844211 0.72 CRHR1 (0.38) S1PR4CRHR1
SCHEMBL5845747 0.71 CRHR1 (0.50) CRHR1
SCHEMBL5843244 0.70 CRHR1 (0.42) CRHR1
SCHEMBL5842960 0.70 CRHR1 (0.38) CRHR1L3MBTL1
SCHEMBL6428567 0.70 CRHR1 (0.39) S1PR4CRHR1
SCHEMBL5844044 0.68 CRHR1 (0.57) CRHR1
Hydrochloric Acid SCHEMBL7624857 0.68 POLB (0.33) S1PR4L3MBTL1
SCHEMBL5843144 0.66 CRHR1 (0.69) 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
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed