SCHEMBL13818690

SCHEMBL13818690

CCCc1cccc(CN(CCC)CCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.54
▸ DRD3 P35462 3/20 0.54
▸ DRD1 P21728 2/20 0.54
▸ DRD4 P21917 2/20 0.54
▸ DRD5 P21918 2/20 0.54
▸ BCHE P06276 5/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ OPRM1 P35372 3/20 0.50
▸ OPRD1 P41143 3/20 0.50
▸ OPRK1 P41145 3/20 0.50
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ CYP2D6 P10635 2/20 0.43

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
SCHEMBL13818587 0.86 HRH3 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL18165028 0.81 BCHE (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL6513977 0.81 BCHE (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL380954 0.81 CNR1 (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL13775217 0.81 HRH3 (0.52) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20462967 0.80 TSHR (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL8494349 0.80 ALDH1A1 (0.52) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7493624 0.79 TRPA1 (0.44) DRD2DRD3DRD1DRD4DRD5
SCHEMBL1206253 0.79 TSHR (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2910597 0.78 TRPA1 (0.42) DRD2DRD3DRD1DRD4DRD5

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
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 — — EP disclosed
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