SCHEMBL3668919

SCHEMBL3668919

O=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.76
▸ ADCY1 Q08828 12/20 0.52
▸ ADCY8 P40145 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL602153 0.86 DGAT1 (1.00) DGAT1
SCHEMBL600566 0.82 DGAT1 (0.71) DGAT1ADCY1ADCY8KDM4ELMNA
SCHEMBL3673362 0.78 DGAT1 (0.76) DGAT1
SCHEMBL601174 0.77 DGAT1 (0.84) DGAT1
SCHEMBL3671390 0.72 CSNK2A2 (0.65) DGAT1KDM4ESMN1; SMN2TDP1
SCHEMBL22668537 0.69 DGAT1 (0.52) DGAT1ADCY1ADCY8KDM4ELMNA
SCHEMBL20598174 0.69 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAMAPT
SCHEMBL3665909 0.67 RXFP1 (0.66) DGAT1
SCHEMBL3674889 0.67 DGAT1 (0.76) DGAT1
SCHEMBL3670116 0.67 DGAT1 (0.77) DGAT1

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-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 — — EP claimed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 — — WO claimed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 — — EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 — — WO disclosed
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