SCHEMBL6445853

SCHEMBL6445853

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
CRHR1 P34998 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 0.80 CRHR1 (0.39) S1PR4KDM4EMAPTMAPK1TDP1
SCHEMBL6445851 0.80 S1PR4 (0.32) S1PR4DCTPP1L3MBTL1CRHR1
SCHEMBL5842960 0.67 CRHR1 (0.38) KDM4EMAPTMAPK1TDP1L3MBTL1
SCHEMBL5844211 0.67 CRHR1 (0.38) S1PR4MAPTMAPK1CRHR1
SCHEMBL5845747 0.66 CRHR1 (0.50) CRHR1
SCHEMBL5843244 0.66 CRHR1 (0.42) KDM4EMAPTMAPK1TDP1CRHR1
SCHEMBL6428567 0.63 CRHR1 (0.39) S1PR4MAPTCRHR1
SCHEMBL5844044 0.63 CRHR1 (0.57) CRHR1
SCHEMBL18031283 0.61 ALDH1A1 (0.44) S1PR4KDM4EMAPTTDP1DCTPP1
SCHEMBL5843013 0.60 CRHR1 (0.50) MAPTPOLBCRHR1

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