SCHEMBL7717362

SCHEMBL7717362

CC[C@H]([C@H](O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(C(=O)O)CC3)nc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.61
PANK3 Q9H999 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 3/20 0.38
CYP3A4 P08684 4/20 0.38
ME2 P23368 2/20 0.37
ME1 P48163 2/20 0.37
ME3 Q16798 2/20 0.37
KCNH2 Q12809 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL7717358 1.00 DGAT1 (0.61) DGAT1PANK3KDM4EMAPTALDH1A1
Water SCHEMBL8931192 0.99 DGAT1 (0.60) DGAT1PANK3KDM4EMAPTALDH1A1
SCHEMBL7878324 0.91 DGAT1 (0.59) DGAT1PANK3KDM4EMAPTALDH1A1
SCHEMBL7886309 0.89 DGAT1 (0.74) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL8931684 0.89 DGAT1 (0.60) DGAT1PANK3KDM4EMAPTALDH1A1
SCHEMBL8809855 0.88 DGAT1 (0.57) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL7893726 0.87 DGAT1 (0.54) DGAT1PANK3KDM4EMAPTALDH1A1
SCHEMBL8755552 0.87 DGAT1 (0.59) DGAT1PANK3KDM4EMAPTALDH1A1
SCHEMBL9285627 0.86 DGAT1 (0.55) DGAT1PANK3KDM4EMAPTALDH1A1
SCHEMBL8807009 0.86 DGAT1 (0.53) DGAT1PANK3KDM4EMAPTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862463-A1 SOLID MIXTURES OF CYCLODEXTRINS PREPARED VIA MELT-EXTRUSION JANSSEN PHARMACEUTICA N.V. (BE) 1998-09-09 EP claimed
WO-1997018839-A1 SOLID MIXTURES OF CYCLODEXTRINS PREPARED VIA MELT-EXTRUSION JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-29 WO claimed
US-6365188-B1 PREPARING SOLID MIXTURE FOR PHARMACEUTICAL, THERAPEUTIC OR COSMETIC TABLETS OR CAPSULES COMPRISING ONE OR MORE CYCLODEXTRINS AND ITRACONAZOLE INCLUDING MELT-EXTRUSION STEP, WHEREIN ITRACONAZOLE IS EMBEDDED INTO CYCLODEXTRIN CARRIER JANSSEN PHARMACEUTICA, N.V. (BE) 2002-04-02 US disclosed
EP-0754180-B1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA NV (BE) 2001-10-31 EP disclosed
EP-0754180-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-01-22 EP disclosed
WO-1995027704-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-19 WO disclosed