SCHEMBL3351035

SCHEMBL3351035

CC(NCc1ccc2ccccc2n1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.52
CYP1A2 P05177 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
ADRA2C P18825 2/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
ADRB1 P08588 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
GLRA1 P23415 1/20 0.41
AVPR2 P30518 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL2458925 1.00 CASR (0.52) CASRCYP1A2GPR139ADRA2CSLC6A2
SCHEMBL2463587 0.82 CASR (0.53) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL3344843 0.79 CASR (0.53) CASR
SCHEMBL2458912 0.79 CASR (0.53) CASR
SCHEMBL16173609 0.79 CYP1A2 (0.53) CYP1A2PDE10A
SCHEMBL25205408 0.77 CYP1A2 (0.46) CYP1A2HTTPDE10A
SCHEMBL13077589 0.76 CASR (0.48) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL2341650 0.76 POLB (0.61) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL5193705 0.76 POLB (0.61) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL15131229 0.76 POLB (0.61) CASRADRA2CSLC6A2HTR2CSLC6A4

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