SCHEMBL7878336

SCHEMBL7878336

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(C(=O)O)CC3)nc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.53
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGLL Q99685 2/20 0.39
MCHR1 Q99705 3/20 0.38
CYP3A4 P08684 2/20 0.38
RAB9A P51151 1/20 0.38
ME2 P23368 2/20 0.37
ME1 P48163 2/20 0.37
ME3 Q16798 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
PANK3 Q9H999 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8931121 0.93 DGAT1 (0.53) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL7886329 0.92 DGAT1 (0.50) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL8931691 0.90 DGAT1 (0.53) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL8927528 0.89 DGAT1 (0.64) DGAT1KDM4EMAPTALDH1A1LMNA
Water SCHEMBL8755865 0.89 DGAT1 (0.59) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL8927569 0.89 DGAT1 (0.53) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL8926249 0.89 DGAT1 (0.51) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL8814915 0.89 DGAT1 (0.51) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL8927053 0.89 DGAT1 (0.48) DGAT1KDM4EMAPTALDH1A1LMNA
SCHEMBL8931761 0.88 DGAT1 (0.54) DGAT1KDM4EMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754180-B1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA NV (BE) 2001-10-31 EP disclosed
EP-0770071-B1 SULFONAMIDE DERIVATIVES OF AZOLONES ANTI-HELICOBACTER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-10 EP disclosed
US-5639754-A BACTERICIDES TREATING HELICOBACTER INFECTION JANSSEN PHARMACEUTICA N.V. (BE) 1997-06-17 US disclosed
EP-0770072-A1 ANTI-HELICOBACTER UREA AND THIOUREA DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP disclosed
EP-0754180-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-01-22 EP disclosed
US-5571811-A TREATING HELICOBACTER INFECTION JANSSEN PHARMACEUTICA N.V. (BE) 1996-11-05 US disclosed
WO-1996001820-A1 ANTI-HELICOBACTER UREA AND THIOUREA DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-25 WO disclosed
WO-1995027704-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-19 WO disclosed