SCHEMBL6208073

SCHEMBL6208073

CCC(C)n1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C)ccnc3c21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.33
PDE1A P54750 4/20 0.31
PDE1B Q01064 4/20 0.31
PDE1C Q14123 4/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
Hydrochloric Acid SCHEMBL5826743 0.99 CRHR1 (0.33) CRHR1PDE1APDE1BPDE1C
SCHEMBL5826721 0.90 CRHR1 (0.40) CRHR1KDM4EALDH1A1HPGD
SCHEMBL6209571 0.89 CRHR1 (0.36) CRHR1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5826904 0.88 CRHR1 (0.35) CRHR1ALDH1A1HPGD
SCHEMBL5826508 0.85 CRHR1 (0.35) CRHR1ALDH1A1HPGD
SCHEMBL5826748 0.83 CRHR1 (0.36) CRHR1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6495482 0.82 CRHR1 (0.33) CRHR1
SCHEMBL5826408 0.76 CRHR1 (0.34) CRHR1ALDH1A1HPGD
SCHEMBL5826574 0.73 CRHR1 (0.46) CRHR1KDM4EALDH1A1HPGD
SCHEMBL5826753 0.72 CRHR1 (0.40) CRHR1KDM4EALDH1A1HPGD

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-1238979-B1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-03-02 EP disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP disclosed