SCHEMBL365057

SCHEMBL365057

CC(=O)c1cccc2ccccc12.NCCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2C P28335 2/20 0.50
SLC6A4 P31645 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
CASR P41180 2/20 0.50
HTT P42858 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MLNR O43193 1/20 0.50
ABCB11 O95342 1/20 0.50
ADRB1 P08588 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
CHRM3 P20309 1/20 0.50
GLRA1 P23415 1/20 0.50
AVPR2 P30518 1/20 0.50
HRH1 P35367 1/20 0.50

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
Naphthalene SCHEMBL4612922 0.81 TAAR1 (0.70) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL365289 0.78 TAAR1 (0.79) HTR2CTAAR1CYP2D6HTR2AHTR2B
SCHEMBL7877410 0.78 ADRA2C (0.51) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
Hydrochloric Acid SCHEMBL12520854 0.77 TAAR1 (0.77) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL1419866 0.74 TAAR1 (0.77) HTR2CTAAR1CYP2D6HTR2AHTR2B
SCHEMBL2095840 0.73 TAAR1 (0.74) HTR2CTAAR1CYP2D6HTR2AHTR2B
SCHEMBL6235879 0.73 TAAR1 (0.74) HTR2CTAAR1CYP2D6HTR2AHTR2B
SCHEMBL28313934 0.71 KDM4E (0.47) MAPTL3MBTL1SCN5ASCN2A
SCHEMBL4753946 0.71 ADRA2C (0.46) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL50651 0.71 NR4A1 (0.65) CYP2D6MAPTL3MBTL1HDAC8MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593422-A1 PROCESS FOR CINACALCET HYDROCHLORIDE Hetero Research Foundation (IN) 2013-05-22 EP disclosed
WO-2012007954-A1 PROCESS FOR CINACALCET HYDROCHLORIDE HETERO RESEARCH FOUNDATION (IN) 2012-01-19 WO disclosed