SCHEMBL541306

SCHEMBL541306

CCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CNC(C)c3cccc4ccccc34)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.42
ADRA2C P18825 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
PPARG P37231 1/20 0.38
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
ADRB1 P08588 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
GLRA1 P23415 1/20 0.38
AVPR2 P30518 1/20 0.38
HRH1 P35367 1/20 0.38
MC3R P41968 1/20 0.38

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
SCHEMBL541305 1.00 CASR (0.42) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL541857 0.92 CASR (0.42) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL541647 0.92 CASR (0.42) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL541858 0.89 CASR (0.46) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL541327 0.89 CASR (0.46) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL541526 0.88 CASR (0.43) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL541525 0.88 CASR (0.43) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL541602 0.87 CASR (0.55) CASRPPARG
SCHEMBL541603 0.87 CASR (0.55) CASRPPARG
SCHEMBL541398 0.84 CASR (0.43) CASRPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP claimed