SCHEMBL6446320

SCHEMBL6446320

CCC(CC)Oc1nc(C)nc(Oc2ccccc2C)c1C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.47
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5844619 0.87 CRHR1 (0.49) CRHR1
SCHEMBL5845315 0.84 CRHR1 (0.53) CRHR1
SCHEMBL5599990 0.78 CRHR1 (0.67) CRHR1
SCHEMBL13696499 0.74 NISCH (0.49) TP53MEN1NPC1TSHRRAB9A
SCHEMBL21447169 0.70 CRHR1 (0.42) CRHR1
SCHEMBL21447165 0.70 CRHR1 (0.56) CRHR1
SCHEMBL27925565 0.69 CYP1A2 (0.45) TP53MEN1NPC1TSHRRAB9A
SCHEMBL5846010 0.69 CRHR1 (0.78) CRHR1
Propane SCHEMBL28061941 0.68 TSHR (0.58) MEN1NPC1TSHRRAB9AKMT2A
SCHEMBL21447293 0.67 CRHR1 (0.37) 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