SCHEMBL8112971

SCHEMBL8112971

CCCCN(CC)c1nc(C)nc(Oc2c(OC)ccc(C(C)C)c2Br)n1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.45

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
SCHEMBL6775547 0.80 CRHR1 (0.54) CRHR1
SCHEMBL6781524 0.77 CRHR1 (0.60) CRHR1
SCHEMBL6775111 0.73 CRHR1 (0.41) CRHR1
SCHEMBL8113017 0.69 CRHR1 (0.46) CRHR1
SCHEMBL8112895 0.68 CRHR1 (0.32) CRHR1
SCHEMBL821901 0.66 CRHR1 (0.67) CRHR1
SCHEMBL6774526 0.65 CRHR1 (0.53) CRHR1
SCHEMBL6781165 0.64 CRHR1 (0.49) CRHR1
SCHEMBL6773376 0.63 CRHR1 (0.51) CRHR1
SCHEMBL6780634 0.63 CRHR1 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP disclosed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP disclosed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO disclosed