SCHEMBL6010830

SCHEMBL6010830

Cc1cc2oc(N3CCCNCC3)nc2cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.50
GPR119 Q8TDV5 1/20 0.41
NCF1 P14598 1/20 0.40
HTR6 P50406 3/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
SOS1 Q07889 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNA7 P36544 1/20 0.39
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL6487554 0.81 PTGES (0.51) PTGESHRH4
SCHEMBL3081079 0.81 HTR6 (0.49) GPR119NCF1HTR6
SCHEMBL6010877 0.80 NCF1 (0.40) NCF1HTR6CHRNB2CHRNA4SOS1
SCHEMBL3088134 0.80 SOS1 (0.56) PTGESGPR119HTR6CHRNB2CHRNA4
SCHEMBL3082150 0.80 PTGES (0.53) PTGESHTR6HRH4
SCHEMBL6500082 0.79 HTR6 (0.42) GPR119HTR6HRH4
SCHEMBL6010826 0.79 NCF1 (0.39) NCF1HTR6CHRNB2CHRNA4SOS1
SCHEMBL4158366 0.78 CHRNB2 (0.42) NCF1HTR6CHRNB2CHRNA4SOS1
SCHEMBL6489251 0.77 LMNA (0.52) PTGESGPR119HTR6
Hydrochloric Acid SCHEMBL6010728 0.77 CHRNB2 (0.41) NCF1HTR6CHRNB2CHRNA4SOS1

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-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP claimed
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed