SCHEMBL7351000

SCHEMBL7351000

CC(=O)CC(=O)OC(C)N1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
SLC1A2 P43004 2/20 0.37
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
PIK3CD O00329 1/20 0.30

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
SCHEMBL2036449 0.74 KMT2A (0.43) SLC1A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL21243694 0.71 HCAR2 (0.43) SLC1A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL28536954 0.71 MGAM (0.52) MGAMGAASIMGAM2CHRM2
SCHEMBL6033533 0.71 MGAM (0.43) MGAMGAASIMGAM2KMT2A
SCHEMBL1403558 0.70 TSHR (0.36) SLC1A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL7341660 0.69 NOTUM (0.43) KMT2AALDH1A1
SCHEMBL406639 0.69 CHRM2 (0.34) SLC1A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8751786 0.68 MGAM (0.55) MGAMGAASIMGAM2CHRM2
SCHEMBL182320 0.68 MGAM (0.55) MGAMGAASIMGAM2CHRM2
SCHEMBL6837511 0.68 MGAM (0.55) MGAMGAASIMGAM2CHRM2

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
US-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed
EP-0194685-A1 1,4-Dihydropyridines Whitby Research Incorporated (US) 1986-09-17 EP disclosed