Sugi Predict

Sugi Predict / Compounds / SCHEMBL7610604

SCHEMBL7610604

SCHEMBL7610604

CCN(CC)c1nc(C)nc2c1c(C)cn2-c1c(C)cc(C)cc1C

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 15/20 0.82
▸ FPR3 P25089 2/20 0.82
▸ TSPO P30536 2/20 0.82
▸ TMEM97 Q5BJF2 2/20 0.82
▸ TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL5611306 0.92 CRHR1 (0.87) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL5707848 0.90 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL29706373 0.90 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5611053 0.90 CRHR1 (0.78) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL7165019 0.89 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL31012286 0.89 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
[18F]Fbppa SCHEMBL31438306 0.87 CRHR1 (0.82) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5600474 0.82 CRHR1 (0.82) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6779979 0.80 CRHR1 (0.82) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6779312 0.79 CRHR1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691128-B1 Use of CRF antagonists PFIZER (US) 2002-12-11 — — EP claimed
EP-0674641-B1 PYRROLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 1999-03-03 — — EP claimed