SCHEMBL28476355

SCHEMBL28476355

CC(NC(=O)C(=O)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.59
SLC6A2 P23975 2/20 0.59
HTR2C P28335 2/20 0.59
SLC6A4 P31645 2/20 0.59
OPRM1 P35372 2/20 0.59
DRD3 P35462 2/20 0.59
CASR P41180 2/20 0.59
MLNR O43193 1/20 0.59
ABCB11 O95342 1/20 0.59
ADRB1 P08588 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CYP2D6 P10635 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD2 P14416 1/20 0.59
CHRM3 P20309 1/20 0.59
GLRA1 P23415 1/20 0.59
AVPR2 P30518 1/20 0.59
HRH1 P35367 1/20 0.59
MC3R P41968 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL28414827 0.83 ADRA2C (0.65) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL1491248 0.83 ADRA2C (0.65) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL8469429 0.83 ADRA2C (0.65) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL29761425 0.83 ADRA2C (0.65) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL1491247 0.83 ADRA2C (0.65) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL716961 0.79 ADRA2C (0.65) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL1580540 0.79 ADRA2C (0.65) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL6813377 0.78 NPSR1 (0.64) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL6813375 0.78 NPSR1 (0.64) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL2483046 0.78 CASR (0.74) ADRA2CSLC6A2HTR2CSLC6A4OPRM1

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
CN-111704577-A Preparation method of cinacalcet hydrochloride 华北水利水电大学 2020-09-25 CN claimed
CN-111704577-A Preparation method of cinacalcet hydrochloride 华北水利水电大学 2020-09-25 CN disclosed