SCHEMBL27416833

SCHEMBL27416833

O=C(O)c1ccccc1CN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SIGMAR1 Q99720 2/20 0.54
KDM5C P41229 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
BRD4 O60885 1/20 0.48
ABCC1 P33527 1/20 0.47
HTR6 P50406 3/20 0.46
FOLH1 Q04609 1/20 0.45
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
MPO P05164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL31222568 0.98 LMNA (0.54) LMNAALDH1A1SIGMAR1KDM5CKDM4C
Hydrochloric Acid SCHEMBL6141847 0.98 LMNA (0.58) LMNAALDH1A1SIGMAR1KDM5CKDM4C
SCHEMBL898696 0.92 ALDH1A1 (0.54) LMNAALDH1A1SIGMAR1KDM5CKDM4C
SCHEMBL21044029 0.92 ALDH1A1 (0.48) LMNAALDH1A1SIGMAR1KDM5CKDM4C
SCHEMBL6842740 0.86 LMNA (0.54) LMNAALDH1A1SIGMAR1BRD4HTR6
SCHEMBL7433040 0.85 ALDH1A1 (0.67) LMNAALDH1A1BRD4FOLH1HRH1
SCHEMBL11361974 0.83 ALDH1A1 (0.65) LMNAALDH1A1BRD4FOLH1KDM4E
SCHEMBL7484815 0.82 SIGMAR1 (0.60) LMNAALDH1A1SIGMAR1KCNH2KDM4E
SCHEMBL17911194 0.82 ALDH1A1 (0.56) LMNAALDH1A1BRD4FOLH1HRH1
SCHEMBL25145993 0.82 LMNA (0.54) LMNAALDH1A1SIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1086698-C Oxadiazoles, processes for their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2002-06-26 CN disclosed
CN-1233245-A Oxadiazoles, processes for their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 1999-10-27 CN disclosed