SCHEMBL7016133

SCHEMBL7016133

O=C(O)c1cc(N2CCOCC2)cc(COC2CCCCO2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KMO O15229 2/20 0.37
PIK3C2B O00750 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
LNPEP Q9UIQ6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ATR Q13535 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 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
SCHEMBL959896 0.88 ALOX5AP (0.36) MEN1KMT2AKDM4CCYP4F2CYP4A11
SCHEMBL113716 0.80 KCNH2 (0.41) MEN1KMT2APIK3CA
SCHEMBL7014486 0.77 KCNH2 (0.39) KDM4C
SCHEMBL3414164 0.77 KDM4C (0.36) MEN1KMT2ALNPEPKDM4C
SCHEMBL113587 0.77 ALOX5AP (0.36) MEN1KMT2A
SCHEMBL960988 0.76 HTR2C (0.34) PIK3C2BPIK3CAPIK3CGLNPEPATR
SCHEMBL163419 0.75 KCNH2 (0.37) MEN1KMT2AKDM4C
SCHEMBL112675 0.74 KDM4C (0.46) MEN1KMT2AKDM4CCYP4F2CYP4A11
SCHEMBL113428 0.74 KCNH2 (0.36) KDM4CATR
SCHEMBL16950261 0.74 KMO (0.55) CFTRMEN1KMT2AKMOPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed