SCHEMBL5664698

SCHEMBL5664698

CC(C)c1cccc(CCCN)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.38
SLC6A4 P31645 2/20 0.38
GABRA1 P14867 3/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
GABRB2 P47870 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL5608325 0.84 SOAT1 (0.40) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL13509766 0.83 TAAR1 (0.41) SLC6A4GABRA1GABRG2GABRB3CYP1A2
SCHEMBL7504590 0.82 GABRA1 (0.37) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL10349024 0.81 GABRA1 (0.42) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL21056164 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL3247879 0.78 GABRA1 (0.34) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL3088973 0.75 GABRA1 (0.43) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL676937 0.73 GABRA1 (0.42) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL487534 0.73 GABRA1 (0.57) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL7124022 0.73 GABRA1 (0.38) GABRA1GABRG2GABRB3CYP1A2CYP3A4

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
EP-1419135-A4 PROCESS FOR THE PREPARATION OF TOLTERODINE RANBAXY LAB LTD (IN) 2006-01-11 EP disclosed
EP-1419135-A1 PROCESS FOR THE PREPARATION OF TOLTERODINE RANBAXY LABORATORIES, LTD. (IN) 2004-05-19 EP disclosed
WO-2003014060-A1 PROCESS FOR THE PREPARATION OF TOLTERODINE RANBAXY LABORATORIES LIMITED (IN) 2003-02-20 WO disclosed