SCHEMBL6428273

SCHEMBL6428273

CCCNc1c(N)nc(C)nc1N(CC)c1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.41
FPR3 P25089 2/20 0.32
TSPO P30536 2/20 0.32
TMEM97 Q5BJF2 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6429243 0.72 CRHR1 (0.50) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5844836 0.70 CRHR1 (0.55) CRHR1
SCHEMBL5843903 0.68 CRHR1 (0.57) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL12963494 0.66 RAPGEF4 (0.50) CRHR1TDP1
SCHEMBL3636751 0.66 RAPGEF4 (0.41) CRHR1TDP1
SCHEMBL2360359 0.64 CRHR1 (0.46) CRHR1
SCHEMBL6429736 0.62 CRHR1 (0.36) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6444145 0.60 CRHR1 (0.33) CRHR1
SCHEMBL19908710 0.60 CNR2 (0.36) CRHR1TDP1
SCHEMBL5845676 0.59 RAPGEF4 (0.52) 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