SCHEMBL29480883

SCHEMBL29480883

CCCCOC(=O)N1CCC(CC(=O)OC)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP13 P45452 3/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
GAA P10253 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
PRKCA P17252 2/20 0.39
TSHR P16473 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38

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
SCHEMBL13174683 0.89 POLB (0.52) LMNAPOLBSMN1; SMN2THRBATM
SCHEMBL7010085 0.84 SMN1; SMN2 (0.54) LMNAPOLBSMN1; SMN2MMP13MMP3
SCHEMBL4204342 0.84 LMNA (0.54) LMNAPOLBSMN1; SMN2MMP13MMP3
SCHEMBL13174685 0.84 POLB (0.48) LMNAPOLBSMN1; SMN2THRBATM
SCHEMBL11974037 0.82 POLB (0.58) LMNAPOLBSMN1; SMN2THRBATM
SCHEMBL725320 0.82 LMNA (0.58) LMNAPOLBSMN1; SMN2MMP13MMP3
SCHEMBL16256877 0.82 LMNA (0.58) LMNAPOLBSMN1; SMN2MMP13MMP3
SCHEMBL21379266 0.82 HTT (0.39) LMNAPOLBSMN1; SMN2THRBATM
SCHEMBL6586204 0.81 LMNA (0.54) LMNAPOLBSMN1; SMN2MMP13MMP3
SCHEMBL726694 0.81 SMN1; SMN2 (0.56) LMNAPOLBSMN1; SMN2MMP13MMP3

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
WO-2022165291-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-08-04 WO disclosed
EP-3966215-A1 SYNTHESIS OF LABELED IMIDAZO[1,2-A]PYRIMIDINES F. Hoffmann-La Roche AG (CH) 2022-03-16 EP disclosed