SCHEMBL19982655

SCHEMBL19982655

CC(C)C(=O)Oc1ccc(CO)cc1C(CCN)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.74
CHRM1 P11229 1/20 0.74
ALOX15 P16050 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
HRH1 P35367 1/20 0.39
ELANE P08246 2/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TTR P02766 1/20 0.35
CFD P00746 1/20 0.33

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
SCHEMBL10098315 1.00 CHRM2 (0.74) CHRM2CHRM1ALOX15CYP4F2CYP4A11
SCHEMBL10098329 0.87 CHRM2 (0.73) CHRM2CHRM1ALOX15CYP4F2CYP4A11
SCHEMBL16166473 0.85 CHRM2 (0.70) CHRM2CHRM1ALOX15CYP4F2CYP4A11
SCHEMBL10098300 0.85 CHRM2 (0.70) CHRM2CHRM1ALOX15CYP4F2CYP4A11
Fesoterodine SCHEMBL29366015 0.85 CHRM2 (1.00) CHRM2CHRM1ALOX15CYP4F2CYP4A11
Fesoterodine SCHEMBL121127 0.85 CHRM2 (1.00) CHRM2CHRM1ALOX15CYP4F2CYP4A11
Fesoterodine SCHEMBL15148766 0.85 CHRM2 (1.00) CHRM2CHRM1ALOX15CYP4F2CYP4A11
SCHEMBL724335 0.85 CHRM2 (0.84) CHRM2CHRM1ALOX15CYP4F2CYP4A11
Fesoterodine SCHEMBL812986 0.85 CHRM2 (1.00) CHRM2CHRM1ALOX15CYP4F2CYP4A11
Fesoterodine SCHEMBL1808421 0.85 CHRM2 (1.00) CHRM2CHRM1ALOX15CYP4F2CYP4A11

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-2855421-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3,3-DIPHENYLPROPYLAMINES CRYSTAL PHARMA SAU (ES) 2018-03-21 EP disclosed