SCHEMBL6963370

SCHEMBL6963370

NC1(c2ccccc2)CCN(CCC2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.72
TACR1 P25103 7/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
TACR3 P29371 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 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
Hydrochloric Acid SCHEMBL7719849 0.99 TACR2 (0.71) TACR2TACR1CHRM2CHRM3TACR3
SCHEMBL4631147 0.88 TACR2 (0.81) TACR2TACR1CHRM2CHRM3TACR3
SCHEMBL6976267 0.87 TACR2 (0.84) TACR2TACR1CHRM2CHRM3TACR3
SCHEMBL4631279 0.86 TACR2 (0.85) TACR2TACR1CHRM2CHRM3TACR3
Hydrochloric Acid SCHEMBL7749084 0.86 TACR2 (0.79) TACR2TACR1CHRM2CHRM3TACR3
Hydrochloric Acid SCHEMBL7749204 0.85 TACR2 (0.83) TACR2TACR1CHRM2CHRM3TACR3
SCHEMBL6959954 0.85 TACR2 (0.68) TACR2TACR1CHRM2CHRM3TACR3
SCHEMBL4630052 0.85 TACR2 (0.64) TACR2TACR1CHRM2CHRM3TACR3
SCHEMBL4630232 0.84 TACR2 (0.79) TACR2TACR1CHRM2CHRM3TACR3
SCHEMBL4631736 0.84 TACR2 (0.74) TACR2TACR1CHRM2CHRM3TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140923-B1 METHOD FOR PREPARING (R)- (+) -3 1- 2-( 4-BENZOYL- 2-(3,4- DIFLUOROPHENYL)MORPHOLIN- 2-YL)ETHYL]- 4-PHENYLPIPERIDIN -4-YL -1,1- DIMETHYLUREA, ITS SALTS SOLVATES AND/OR HYDRATES SANOFI SYNTHELABO (FR) 2003-03-05 EP claimed
US-6392039-B1 COUPLING; SALT FORMATION SANOFI-SYNTHELABO (FR) 2002-05-21 US claimed
EP-1140923-A1 METHOD FOR PREPARING (R)- (+) -3 1- 2-( 4-BENZOYL- 2-(3,4- DIFLUOROPHENYL)MORPHOLIN- 2-YL)ETHYL]- 4-PHENYLPIPERIDIN -4-YL -1,1- DIMETHYLUREA, ITS SALTS SOLVATES AND/OR HYDRATES SANOFI-SYNTHELABO (FR) 2001-10-10 EP claimed
WO-2000039126-A1 METHOD FOR PREPARING (R)- (+) -3 {1- [2-( 4-BENZOYL- 2-(3,4- DIFLUOROPHENYL)MORPHOLIN- 2-YL)ETHYL]- 4-PHENYLPIPERIDIN -4-YL}-1,1- DIMETHYLUREA, ITS SALTS SOLVATES AND/OR HYDRATES SANOFI-SYNTHELABO (FR) 2000-07-06 WO claimed
EP-1140923-B1 METHOD FOR PREPARING (R)- (+) -3 1- 2-( 4-BENZOYL- 2-(3,4- DIFLUOROPHENYL)MORPHOLIN- 2-YL)ETHYL]- 4-PHENYLPIPERIDIN -4-YL -1,1- DIMETHYLUREA, ITS SALTS SOLVATES AND/OR HYDRATES SANOFI SYNTHELABO (FR) 2003-03-05 EP disclosed
US-6392039-B1 COUPLING; SALT FORMATION SANOFI-SYNTHELABO (FR) 2002-05-21 US disclosed
EP-1140923-A1 METHOD FOR PREPARING (R)- (+) -3 1- 2-( 4-BENZOYL- 2-(3,4- DIFLUOROPHENYL)MORPHOLIN- 2-YL)ETHYL]- 4-PHENYLPIPERIDIN -4-YL -1,1- DIMETHYLUREA, ITS SALTS SOLVATES AND/OR HYDRATES SANOFI-SYNTHELABO (FR) 2001-10-10 EP disclosed
WO-2000039126-A1 METHOD FOR PREPARING (R)- (+) -3 {1- [2-( 4-BENZOYL- 2-(3,4- DIFLUOROPHENYL)MORPHOLIN- 2-YL)ETHYL]- 4-PHENYLPIPERIDIN -4-YL}-1,1- DIMETHYLUREA, ITS SALTS SOLVATES AND/OR HYDRATES SANOFI-SYNTHELABO (FR) 2000-07-06 WO disclosed