SCHEMBL20924798

SCHEMBL20924798

C=C(CCCN(C)C)OC(CCCCCCCCCOC(=O)C1CCCC1)CCCCCCCCCOC(=O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
CTSK P43235 1/20 0.30
MAPT P10636 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
SCHEMBL20924716 0.95 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ADRB2
SCHEMBL15027495 0.89 DNM1 (0.35) CHRM2CHRM4CHRM1CHRM3ADRB2
SCHEMBL31323871 0.88 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ADRB2
SCHEMBL31323883 0.88 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ADRB2
SCHEMBL15028140 0.88 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ADRB2
SCHEMBL20924797 0.84 SIGMAR1 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL20924796 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL16376199 0.81 CHRM2 (0.32) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL20924799 0.76 DNM1 (0.58) ALDH1A1MAPT
SCHEMBL15027494 0.76 SIGMAR1 (0.40) CHRM2CHRM4CHRM1CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788316-B1 BRANCHED ALKYL AND CYCLOALKYL TERMINATED BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS INC (US) 2019-04-24 EP disclosed