SCHEMBL9544860

SCHEMBL9544860

CCCc1cccc(COC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
DRD2 P14416 2/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
IDO1 P14902 3/20 0.40
AGXT P21549 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ABCB1 P08183 1/20 0.38
HTR1A P08908 1/20 0.38
CALM1 P0DP23 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
SCHEMBL487468 0.87 IDO1 (0.48) FFAR1IDO1AGXT
SCHEMBL14402625 0.86 LPL (0.53)
SCHEMBL14402481 0.85 LPL (0.54)
SCHEMBL380954 0.84 CNR1 (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16858350 0.83 ENPP2 (0.42) TAAR1CNR1CNR2
SCHEMBL12305 0.83 TP53 (0.44) FFAR1IDO1AGXT
SCHEMBL9544853 0.82 DRD2 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2889827 0.82 CYP4F2 (0.54) FFAR1IDO1AGXTGABRA1GABRG2
SCHEMBL1046364 0.82 TAAR1 (0.61) DRD2DRD1TAAR1
SCHEMBL27826128 0.82 TDP1 (0.46) FFAR1DRD2IDO1AGXTTAAR1

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-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
WO-1993013089-A1 MACROCYCLIC POLYETHER CARBOXYLIC ACIDS URBAN FRANK J (US) 1993-07-08 WO disclosed