SCHEMBL7821933

SCHEMBL7821933

CCCCCn1c(CC)nc2c(-c3cc(F)c(C)cc3C)cccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.46
MAPT P10636 4/20 0.40
TP53 P04637 5/20 0.39
GAA P10253 1/20 0.37
PPARG P37231 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 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
SCHEMBL7816740 0.78
SCHEMBL7813559 0.74 TLR8 (0.41) TLR8MAPTTP53SMN1; SMN2
SCHEMBL31066873 0.66 TLR8 (0.68) TLR8MAPTTP53GAASMN1; SMN2
SCHEMBL31066866 0.66 TLR8 (0.68) TLR8MAPTTP53GAASMN1; SMN2
SCHEMBL16512952 0.66 TLR8 (0.74) TLR8POLB
SCHEMBL9847099 0.65 TLR8 (0.72) TLR8MAPTTP53SMN1; SMN2
SCHEMBL16486950 0.64 TLR8 (1.00) TLR8TP53POLB
SCHEMBL8007799 0.64
SCHEMBL8142237 0.63 PDE4B (0.42)
SCHEMBL17819059 0.63 TLR8 (0.69) TLR8TP53POLB

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-1091941-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP disclosed
US-6124463-A TREATMENT OF AFFECTIVE DISORDER, ANXIETY OR DEPRESSION DUPONT PHARMACEUTICALS (US) 2000-09-26 US disclosed
WO-2000001675-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-13 WO disclosed