SCHEMBL8516517

SCHEMBL8516517

CCCNc1nc(C)nc2c1c(CCC)cn2-c1c(C)cc(C)cc1C

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.52
FPR3 P25089 2/20 0.46
TSPO P30536 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7438108 0.88 CRHR1 (0.56) CRHR1FPR3TSPOTMEM97ALDH1A1
SCHEMBL7902814 0.73 CRHR1 (0.68) CRHR1TDP1
SCHEMBL7621313 0.71 CRHR1 (0.47) CRHR1FPR3TSPOTMEM97ALDH1A1
SCHEMBL7916250 0.69 CRHR1 (0.55) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL8498539 0.68 CRHR1 (0.54) CRHR1FPR3TSPOTMEM97ALDH1A1
SCHEMBL9390674 0.68 CRHR1 (0.40) CRHR1FPR3TSPOTMEM97ALDH1A1
SCHEMBL16937322 0.67 CRHR1 (0.78) CRHR1TDP1
SCHEMBL7645267 0.67 CRHR1 (0.56) CRHR1FPR3TSPOTMEM97ALDH1A1
SCHEMBL5611053 0.66 CRHR1 (0.78) CRHR1FPR3TSPOTMEM97TDP1
Hydrochloric Acid SCHEMBL25395749 0.66 CRHR1 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674641-B1 PYRROLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 1999-03-03 EP claimed