SCHEMBL4593155

SCHEMBL4593155

O=C(NCCc1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
GLA P06280 1/20 0.51
CHRM4 P08173 5/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL15058479 0.90 MAPT (0.55) CHRM5CHRM1CHRM3GLACHRM4
SCHEMBL3737513 0.85 CHRM5 (0.55) CHRM5CHRM1CHRM3GLACHRM4
SCHEMBL23195097 0.77 GLA (0.61) GLAMAPTKDM4EALDH1A1KMT2A
SCHEMBL20220119 0.77 MAPT (0.50) GLAMAPTPOLBALDH1A1KMT2A
SCHEMBL28799418 0.76 MAPT (0.63) GLAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL526160 0.73 GLA (0.59) GLAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL4456238 0.73 GLA (0.65) GLAMAPTLMNAPOLBKMT2A
SCHEMBL29797174 0.73 GLA (0.59) GLAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL28445942 0.73 GLA (0.58) GLAMAPTLMNAPOLBALDH1A1
SCHEMBL20220220 0.73 MAPT (0.50) GLAMAPTALDH1A1KMT2A

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-1879878-A2 NEW HETEROCYCLYLETHYLCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-01-23 EP disclosed
WO-2006108791-A2 HETEROCYCLYLETHYLHETEROCYCLYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-10-19 WO disclosed