SCHEMBL365056

SCHEMBL365056

CC(=O)C(N)CC(c1cccc(C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 3/20 0.42
ADRA2C P18825 2/20 0.42
HTR2C P28335 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
CASR P41180 2/20 0.42
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
ADRB1 P08588 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
CHRM3 P20309 1/20 0.42
GLRA1 P23415 1/20 0.42
AVPR2 P30518 1/20 0.42
HRH1 P35367 1/20 0.42
MC3R P41968 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4612931 0.77 SLC6A4 (0.50) SLC6A4SLC6A2ADRA2CHTR2COPRM1
SCHEMBL27956998 0.73 CASR (0.44) SLC6A4SLC6A2ADRA2CHTR2COPRM1
SCHEMBL11103452 0.70 ACP3 (0.55) HTTACP3PNMTALDH1A1EPHX1
SCHEMBL19943590 0.69 HTR2A (0.69) SLC6A4SLC6A2ADRA2CHTR2COPRM1
SCHEMBL16131653 0.69 HTR2A (0.69) SLC6A4SLC6A2ADRA2CHTR2COPRM1
Hydrochloric Acid SCHEMBL1491219 0.68 SLC6A2 (0.46) SLC6A4SLC6A2ADRA2CHTR2COPRM1
Oxalic Acid SCHEMBL9613902 0.68 SLC6A2 (0.51) SLC6A4SLC6A2HTR1AALDH1A1MEN1
SCHEMBL27644695 0.68 SLC1A3 (0.48) HTR2CHTR2AHTR2BACP3PNMT
SCHEMBL27643978 0.68 SLC1A3 (0.48) ACP3PNMTALDH1A1EPHX1MEN1
SCHEMBL3458826 0.68 CES2 (0.55) ACP3PNMTALDH1A1EPHX1MEN1

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