SCHEMBL8134339

SCHEMBL8134339

CN(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.71
CHRM2 P08172 8/20 0.71
CHRM3 P20309 8/20 0.71
POLB P06746 3/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
ALDH1A1 P00352 2/20 0.63
CHRM4 P08173 5/20 0.57
CHRM5 P08912 2/20 0.52
CYP2D6 P10635 3/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
SCN1A P35498 1/20 0.49
MTOR P42345 1/20 0.49

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
Hydrochloric Acid SCHEMBL9047935 0.98 POLB (0.74) CHRM1CHRM2CHRM3POLBMEN1
Benactyzine SCHEMBL49077 0.84 MEN1 (0.97) CHRM1CHRM2CHRM3POLBMEN1
SCHEMBL29468676 0.84 CHRM2 (0.63) CHRM1CHRM2CHRM3POLBMEN1
Benactyzine SCHEMBL4419579 0.83 MEN1 (1.00) CHRM1CHRM2CHRM3POLBMEN1
SCHEMBL9569379 0.83 ALDH1A1 (0.61) CHRM1CHRM2CHRM3POLBMEN1
Benactyzine SCHEMBL7799126 0.82 MEN1 (0.92) CHRM1CHRM2CHRM3POLBMEN1
SCHEMBL5158545 0.81 MEN1 (0.68) CHRM1CHRM2CHRM3POLBMEN1
Hydrochloric Acid SCHEMBL9569376 0.81 POLB (0.61) CHRM1CHRM2CHRM3POLBMEN1
Benapryzine SCHEMBL250007 0.81 MEN1 (0.84) CHRM1CHRM2CHRM3POLBMEN1
Benactyzine SCHEMBL5858474 0.80 MEN1 (0.87) CHRM1CHRM2CHRM3POLBMEN1

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-6069149-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TERUMO KABUSHIKI KAISHA (JP) 2000-05-30 US disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 EP disclosed
EP-0537608-A2 Process for the technical preparation of 2,2-diphenyl-2-(2-ethyl-butoxy)acetic acid, 2-dimethyl-amino-ethyl ester, hydrochloride APOGEPHA ARZNEIMITTEL GmbH (DE) 1993-04-21 EP disclosed