SCHEMBL8064360

SCHEMBL8064360

CN1CCN(c2ccc(C(N)=O)c3c2CC(N(C(=O)c2ccc(C(=O)c4ccccc4)cc2)c2ccc(C(=O)c4ccccc4)cc2)CO3)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 3/20 0.34
HTR2C P28335 1/20 0.34
CHRM2 P08172 5/20 0.34
CHRM3 P20309 5/20 0.34
SLC6A4 P31645 1/20 0.33

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
SCHEMBL6933310 0.80 HTR1A (0.38) ALDH1A1LMNAKDM4EHSD17B10HTR1A
SCHEMBL6932616 0.80 KCNH2 (0.51) ALDH1A1LMNAGAAKDM4EHSD17B10
SCHEMBL6932612 0.80 KCNH2 (0.51) ALDH1A1LMNAGAAKDM4EHSD17B10
SCHEMBL6930432 0.74 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EHSD17B10MEN1
SCHEMBL6930424 0.74 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EHSD17B10MEN1
SCHEMBL6930423 0.70 HTR6 (0.43) ALDH1A1LMNAKDM4EHSD17B10MEN1
SCHEMBL4830439 0.66 KCNH2 (0.47) ALDH1A1LMNAGAAKMT2AHTR1A
SCHEMBL6820490 0.66 TMEM97 (0.36) ALDH1A1LMNAGAAKDM4EHSD17B10
SCHEMBL6816875 0.64 DRD2 (0.35) MEN1KMT2AADRA1AOPRM1HTR1A
SCHEMBL8162682 0.64 DRD2 (0.35) MEN1KMT2AADRA1AOPRM1HTR1A

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
EP-1025096-A1 SUBSTITUTED CHROMAN DERIVATIVES AstraZeneca AB (SE) 2000-08-09 EP disclosed
WO-1999014213-A1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 1999-03-25 WO disclosed