SCHEMBL6779979

SCHEMBL6779979

CCCCN(CC)c1nc(C)nc2c1c(C)cn2-c1c(C)cc(CF)cc1C

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.82
FPR3 P25089 2/20 0.82
TSPO P30536 2/20 0.82
TMEM97 Q5BJF2 2/20 0.82
TDP1 Q9NUW8 2/20 0.55

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
SCHEMBL8362035 0.90 CRHR1 (0.80) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6779312 0.90 CRHR1 (0.80) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL5707848 0.90 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL31012286 0.89 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL7165019 0.89 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL8359748 0.89 CRHR1 (0.77) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6785014 0.87 CRHR1 (0.77) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6773970 0.85 CRHR1 (0.79) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6774652 0.85 CRHR1 (0.78) CRHR1FPR3TSPOTMEM97TDP1
[18F]Fbppa SCHEMBL31438306 0.85 CRHR1 (0.82) CRHR1FPR3TSPOTMEM97TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6765008-B1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES; ANXIOLYTIC AGENTS; NERVOUS SYSTEM, BRAIN, PSYCHOLOGICAL, EATING, AND GASTROINTESTINAL DISORDERS; CORTICOTROPIN-RELEASING FACTOR ANTAGONISTS PFIZER INC 2004-07-20 US disclosed
EP-0674641-B1 PYRROLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 1999-03-03 EP disclosed
WO-1994013676-A1 PYRROLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed