SCHEMBL3345937

SCHEMBL3345937

CC(NCc1ccncc1)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.54
POLB P06746 2/20 0.48
ACP3 P15309 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRA2C P18825 2/20 0.45
SLC6A2 P23975 2/20 0.45
HTR2C P28335 2/20 0.45
SLC6A4 P31645 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
MLNR O43193 1/20 0.45
ABCB11 O95342 1/20 0.45
ADRB1 P08588 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
CHRM3 P20309 1/20 0.45
GLRA1 P23415 1/20 0.45
AVPR2 P30518 1/20 0.45

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
SCHEMBL2462515 1.00 CASR (0.54) CASRPOLBACP3ADRB2ADRA2C
SCHEMBL15131229 0.88 POLB (0.61) CASRPOLBACP3ADRA2CSLC6A2
SCHEMBL5193705 0.88 POLB (0.61) CASRPOLBACP3ADRA2CSLC6A2
SCHEMBL2341650 0.88 POLB (0.61) CASRPOLBACP3ADRA2CSLC6A2
Hydrochloric Acid SCHEMBL3082165 0.86 CASR (0.60) CASRPOLBACP3ADRA2CSLC6A2
Hydrochloric Acid SCHEMBL3067899 0.86 CASR (0.60) CASRPOLBACP3ADRA2CSLC6A2
Hydrochloric Acid SCHEMBL31355096 0.86 CASR (0.60) CASRPOLBACP3ADRA2CSLC6A2
Hydrochloric Acid SCHEMBL607723 0.86 CASR (0.60) CASRPOLBACP3ADRA2CSLC6A2
SCHEMBL2462966 0.85 CASR (0.51) CASRPOLBADRA2CSLC6A2HTR2C
SCHEMBL3345026 0.85 CASR (0.51) CASRPOLBADRA2CSLC6A2HTR2C

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
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 WO disclosed