SCHEMBL8931127

SCHEMBL8931127

CCC(C(O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1=O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.72
LMNA P02545 5/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
AKR1C3 P42330 1/20 0.47
HSP90AA1 P07900 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.40

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
SCHEMBL8931748 0.96 DGAT1 (0.71) DGAT1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7886309 0.91 DGAT1 (0.74) DGAT1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7883247 0.88 DGAT1 (0.71) DGAT1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL9386404 0.88 DGAT1 (0.70) DGAT1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8755567 0.85 DGAT1 (0.69) DGAT1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8756019 0.85 DGAT1 (0.69) DGAT1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL13218506 0.85 DGAT1 (0.66) DGAT1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8756456 0.85 DGAT1 (0.81) DGAT1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL17249820 0.84 DGAT1 (0.68) DGAT1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL13218553 0.84 DGAT1 (1.00) DGAT1LMNAALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770074-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP claimed
WO-1996001822-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-25 WO claimed
US-5637592-A TREATING HELICOBACTER INFECTIONS, SUCH AS GASTRITIS, STOMACH ULCERS, DUODENAL ULCERS AND GASTRIC CANCER JANSSEN PHARMACEUTICA N.V. (BE) 1997-06-10 US disclosed
EP-0770074-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP disclosed
WO-1996001822-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-25 WO disclosed