SCHEMBL6164604

SCHEMBL6164604

CCOC(C)CCNc1nc(CC)c(-c2cc3c(cc2OC)CCCC3)nc1CC

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.41
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL6168505 0.92 CRHR1 (0.42) CRHR1ALDH1A1HPGD
SCHEMBL6167259 0.83 CRHR1 (0.44) CRHR1ALDH1A1HPGD
SCHEMBL6165056 0.82 CRHR1 (0.43) CRHR1ALDH1A1HPGD
SCHEMBL6166502 0.81 CRHR1 (0.47) CRHR1
SCHEMBL6167254 0.80 CRHR1 (0.48) CRHR1
SCHEMBL6344334 0.79 CRHR1 (0.53) CRHR1
SCHEMBL6345679 0.79 CRHR1 (0.53) CRHR1
SCHEMBL6165050 0.79 CRHR1 (0.54) CRHR1
SCHEMBL6164601 0.78 CRHR1 (0.46) CRHR1
SCHEMBL6166200 0.78 CRHR1 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP claimed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO claimed
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO disclosed