SCHEMBL1382630

SCHEMBL1382630

CC(=O)NC1(c2ccccc2)CCN(CCC2(c3ccc(F)c(F)c3)CN(c3ccccc3)C(=O)CO2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.57
TACR3 P29371 9/20 0.48
SIGMAR1 Q99720 3/20 0.42
OPRM1 P35372 2/20 0.42
TACR1 P25103 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL15190174 0.94 TACR2 (0.52) TACR2TACR3SIGMAR1OPRM1TACR1
SCHEMBL1381405 0.92 TACR2 (0.50) TACR2TACR3TACR1
SCHEMBL1384573 0.90 TACR2 (0.51) TACR2TACR3TACR1
SCHEMBL1381888 0.89 TACR1 (0.52) TACR2TACR3TACR1
SCHEMBL4630862 0.87 TACR2 (0.56) TACR2TACR3TACR1
SCHEMBL1381258 0.87 TACR3 (0.52) TACR2TACR3TACR1
SCHEMBL1384598 0.86 TACR3 (0.51) TACR2TACR3TACR1
SCHEMBL1382624 0.86 TACR2 (0.45) TACR2TACR3TACR1CYP2C19
Hydrochloric Acid SCHEMBL7744601 0.86 TACR2 (0.55) TACR2TACR3TACR1
Hydrochloric Acid SCHEMBL7744599 0.86 TACR2 (0.55) TACR2TACR3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773823-B1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-08-21 EP claimed
JP-4812759-B2 2011-11-09 JP claimed
EP-1773823-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP claimed
WO-2006021654-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO claimed
EP-1773823-B1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-08-21 EP disclosed
EP-1773823-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021654-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed