SCHEMBL8979702

SCHEMBL8979702

CN(C)C(=O)c1cccc(-c2ccc3[nH]cc(C[C@H]4CCCN4C(=O)OCc4ccccc4)c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.49
HTR2A P28223 1/20 0.44
HTR1B P28222 9/20 0.43
HTR1D P28221 6/20 0.43
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
HTR1A P08908 3/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GABRP O00591 1/20 0.40

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
SCHEMBL8979719 0.90 GABRA1 (0.43) HTR2AHTR1BHTR1DGABRA1GABRG2
SCHEMBL8979686 0.88 GABRA1 (0.44) HTR2AHTR1BHTR1DGABRA1GABRG2
SCHEMBL8979718 0.85 ICMT (0.44) HTR2AHTR1BHTR1DGABRA1GABRG2
SCHEMBL8979845 0.85 GABRA1 (0.45) HTR2AHTR1BHTR1DGABRA1GABRG2
SCHEMBL8789694 0.82 HTR1A (0.61) HTR1BGABRA1GABRG2GABRB3GABRA3
SCHEMBL8789702 0.82 HTR1A (0.61) HTR1BGABRA1GABRG2GABRB3GABRA3
SCHEMBL8875340 0.82 UTS2R (0.51) HTR2AHTR1BHTR1DGABRA1GABRG2
SCHEMBL8542318 0.82 UTS2R (0.51) HTR2AHTR1BHTR1DGABRA1GABRG2
SCHEMBL30073 0.81 GABRA1 (0.58) HTR2AGABRA1GABRG2GABRB3GABRA3
SCHEMBL30072 0.81 GABRA1 (0.58) HTR2AGABRA1GABRG2GABRB3GABRA3

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
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed