SCHEMBL7989600

SCHEMBL7989600

[CH2]CC1CCN(COC(=O)C(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 1/20 0.34
CHRM3 P20309 1/20 0.32
KCNH2 Q12809 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
PRKCA P17252 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
SCHEMBL7985517 0.90 ENO1 (0.34) ENO1CHRM3KCNH2CACNA1IPRKCA
SCHEMBL7986102 0.81 SLC18A3 (0.37)
SCHEMBL7992499 0.81 ENO1 (0.34) ENO1PRKCA
SCHEMBL28106918 0.77 ENO1 (0.36) ENO1PRKCA
SCHEMBL27744868 0.75 ALDH1A1 (0.39) ENO1PRKCA
SCHEMBL8440453 0.74 ALDH1A1 (0.41) ENO1PRKCA
SCHEMBL7989717 0.73 SLC18A3 (0.36) CHRM3
SCHEMBL12422447 0.73 SMN1; SMN2 (0.44)
SCHEMBL9906132 0.73 PRKCA (0.33) ENO1PRKCA
SCHEMBL12989425 0.73 SIGMAR1 (0.42) ENO1CHRM3PRKCA

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed