SCHEMBL6428567

SCHEMBL6428567

CCC(COC)Nc1cc(C)nc(Oc2c(N)cc(Cl)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.39
S1PR4 O95977 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5843332 0.84 S1PR4 (0.44) CRHR1S1PR4NPC1LMNAMAPT
SCHEMBL5844565 0.83 CRHR1 (0.39) CRHR1S1PR4MAPT
SCHEMBL5844211 0.82 CRHR1 (0.38) CRHR1S1PR4MAPT
SCHEMBL5844044 0.81 CRHR1 (0.57) CRHR1
SCHEMBL5845747 0.80 CRHR1 (0.50) CRHR1
SCHEMBL5843244 0.79 CRHR1 (0.42) CRHR1LMNAMAPT
SCHEMBL5843013 0.78 CRHR1 (0.50) CRHR1NPC1MAPT
SCHEMBL5845050 0.78 CRHR1 (0.37) CRHR1S1PR4TAS1R3TAS1R1LMNA
SCHEMBL5843223 0.76 CRHR1 (0.49) CRHR1
SCHEMBL5843144 0.75 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