SCHEMBL6666489

SCHEMBL6666489

CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1NC1c2ccccc2CC1O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.54
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL3840879 1.00 CRHR1 (0.54) CRHR1CD274
SCHEMBL3843636 0.91 CRHR1 (0.47) CRHR1
SCHEMBL6646266 0.91 CRHR1 (0.47) CRHR1
SCHEMBL6670811 0.90 CRHR1 (0.46) CRHR1
SCHEMBL3842220 0.90 CRHR1 (0.46) CRHR1
SCHEMBL3845201 0.88 CRHR1 (0.60) CRHR1
SCHEMBL6173887 0.86 CRHR1 (0.42) CRHR1
SCHEMBL6348476 0.86 CRHR1 (0.42) CRHR1
SCHEMBL3838913 0.85 CRHR1 (0.58) CRHR1
SCHEMBL3839334 0.83 CRHR1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 WO disclosed