SCHEMBL8148200

SCHEMBL8148200

CCc1nc(-c2cc(C)c(OC)cc2C)cn1C(CC)CCOC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
CRHR1 P34998 2/20 0.35
PTGS2 P35354 1/20 0.32
MAPK1 P28482 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.31

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
SCHEMBL8149046 0.91 TSHR (0.39) TSHRHTTLMNACRHR1
SCHEMBL8152915 0.90 CRHR1 (0.34) TSHRHTTCRHR1MAPK1SUV39H2
SCHEMBL8154384 0.88 CRHR1 (0.36) TSHRCRHR1SUV39H2
SCHEMBL8152169 0.81 CRHR1 (0.39) TSHRHTTLMNACRHR1MAPK1
SCHEMBL8152497 0.78 CRHR1 (0.35) CRHR1SUV39H2
SCHEMBL8146626 0.77 CRHR1 (0.36) TSHRHTTLMNACRHR1PTGS2
SCHEMBL8145070 0.77
SCHEMBL8145013 0.76 CRHR1 (0.39) CRHR1
SCHEMBL8145796 0.75 CRHR1 (0.33) CRHR1
SCHEMBL7032858 0.73

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-0994877-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001454-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 WO disclosed