SCHEMBL6906533

SCHEMBL6906533

Fc1cccc2c1Cc1ccccc1C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
DRD3 P35462 6/20 0.41
CYP1A2 P05177 1/20 0.39
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
DRD4 P21917 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HRH1 P35367 2/20 0.35
PNMT P11086 1/20 0.34

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
SCHEMBL1912510 0.93
Ammonia Solution, Strong SCHEMBL16830608 0.90
SCHEMBL20123631 0.86 CYP2A6 (0.45) DRD2DRD3CYP1A2DRD1DRD5
SCHEMBL20123444 0.85 DRD3 (0.46) DRD2DRD3CYP1A2DRD1DRD5
SCHEMBL16559380 0.83 DRD2 (0.52) DRD2DRD3CYP3A4TSHR
SCHEMBL11430501 0.77 CYP1A2 (0.52) DRD2DRD3CYP1A2MAOACYP3A4
SCHEMBL30406729 0.77 CYP1A2 (0.52) DRD2DRD3CYP1A2MAOACYP3A4
SCHEMBL4359047 0.77 PNMT (0.53) DRD2DRD3DRD4MAOAPNMT
SCHEMBL29935665 0.76 CYP1A2 (0.48) DRD2DRD3CYP1A2DRD1DRD5
SCHEMBL20015029 0.76 MAOA (0.47) DRD2DRD3MAOAMAOBHTR2A

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
US-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed